15,689 results
Search Results
2. Ligand fishing with cellular membrane-coated cellulose filter paper: a new method for screening of potential active compounds from natural products.
- Author
-
Xu L, Tang C, Li X, Li X, Yang H, Mao R, He J, Li W, Liu J, Li Y, Shi S, Xiao X, and Wang X
- Subjects
- Angelica chemistry, Animals, Biological Products chemistry, Humans, Ligands, Molecular Docking Simulation, Paper, Rabbits, Receptors, GABA-A metabolism, Biological Products isolation & purification, Biological Products pharmacology, Cellulose chemistry, Drug Discovery instrumentation, Erythrocyte Membrane metabolism, Filtration instrumentation
- Abstract
Ligand fishing is a widely used approach for screening active compounds from natural products. Recently, cell membrane (CM) as affinity ligand has been applied in ligand fishing, including cell membrane chromatography (CMC) and CM-coated magnetic bead. However, these methods possess many weaknesses, including complicated preparation processes and time-consuming operation. In this study, cheap and easily available cellulose filter paper (CFP) was selected as carrier of CM and used to fabricate a novel CM-coated CFP (CMCFP) for the first time. The type of CFP was optimized according to the amount of immobilized protein, and the immobilization of CM onto CFP by the insertion and self-fusion process was verified by confocal imaging. The CMCFP exhibited good selectivity and stability and was used for fishing potentially active compounds from extracts of Angelica dahurica. Three potentially active compounds, including bergapten, pabulenol, and imperatorin, were fished out and identified. The traditional Chinese medicine systems pharmacology database and analysis platform was used to build an active compound-target protein network, and accordingly, the gamma-aminobutyric acid receptor subunit alpha-1 (GABRA1) was deduced as potential target of CM for the active compounds of Angelica dahurica. Molecular docking was performed to evaluate the interaction between active compounds and GABRA1, and bergapten was speculated as a new potentially active compound. Compared with other methods, the fishing assay based on CMCFP was more effective, simpler, and cheaper.
- Published
- 2019
- Full Text
- View/download PDF
3. Review on Biomedical Informatics Through the Versatility of Generative Adversarial Networks
- Author
-
Mukesh, Vishvesh, Joshi, Hrithik, Saraf, Sparsh, Singh, Gurwinder, Rannenberg, Kai, Editor-in-Chief, Soares Barbosa, Luís, Editorial Board Member, Carette, Jacques, Editorial Board Member, Tatnall, Arthur, Editorial Board Member, Neuhold, Erich J., Editorial Board Member, Stiller, Burkhard, Editorial Board Member, Stettner, Lukasz, Editorial Board Member, Pries-Heje, Jan, Editorial Board Member, Kreps, David, Editorial Board Member, Rettberg, Achim, Editorial Board Member, Furnell, Steven, Editorial Board Member, Mercier-Laurent, Eunika, Editorial Board Member, Winckler, Marco, Editorial Board Member, Malaka, Rainer, Editorial Board Member, Owoc, Mieczyslaw Lech, editor, Varghese Sicily, Felix Enigo, editor, Rajaram, Kanchana, editor, and Balasundaram, Prabavathy, editor
- Published
- 2024
- Full Text
- View/download PDF
4. Machine learning approaches and databases for prediction of drug-target interaction: a survey paper.
- Author
-
Bagherian M, Sabeti E, Wang K, Sartor MA, Nikolovska-Coleska Z, and Najarian K
- Subjects
- Databases, Factual, Humans, Computational Biology methods, Drug Discovery methods, Machine Learning
- Abstract
The task of predicting the interactions between drugs and targets plays a key role in the process of drug discovery. There is a need to develop novel and efficient prediction approaches in order to avoid costly and laborious yet not-always-deterministic experiments to determine drug-target interactions (DTIs) by experiments alone. These approaches should be capable of identifying the potential DTIs in a timely manner. In this article, we describe the data required for the task of DTI prediction followed by a comprehensive catalog consisting of machine learning methods and databases, which have been proposed and utilized to predict DTIs. The advantages and disadvantages of each set of methods are also briefly discussed. Lastly, the challenges one may face in prediction of DTI using machine learning approaches are highlighted and we conclude by shedding some lights on important future research directions., (© The Author(s) 2020. Published by Oxford University Press.)
- Published
- 2021
- Full Text
- View/download PDF
5. Revolutionizing Drug Discovery: Unleashing AI’s Potential in Pharmaceutical Innovation
- Author
-
Chauhan, Ashish Singh, Kathuria, Samta, Gehlot, Anita, Sunil, G., Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Santosh, KC, editor, Makkar, Aaisha, editor, Conway, Myra, editor, Singh, Ashutosh K., editor, Vacavant, Antoine, editor, Abou el Kalam, Anas, editor, Bouguelia, Mohamed-Rafik, editor, and Hegadi, Ravindra, editor
- Published
- 2024
- Full Text
- View/download PDF
6. Paper - a potential platform in pharmaceutical development.
- Author
-
Chen YH, Kuo ZK, and Cheng CM
- Subjects
- Cell Culture Techniques, Microfluidic Analytical Techniques, Paper, Drug Discovery, Drug Evaluation, Preclinical methods
- Abstract
Paper is predominantly composed of cellulose fibers that have an inherent ability to wick fluids by capillary action; it provides an interesting diagnostic platform that is inexpensive, easily obtained, and eco-friendly. Paper has been used in various types of biologically relevant applications including paper-based molecular assays, paper-based ELISA (P-ELISA), paper-based nucleic acid assays, and paper-based cell assays. Based on recent successes with the use of paper as a platform, we contend that paper is not only very suitable for diagnostics but could provide a more advantageous platform than current plastics-based platforms for drug discovery, and would be useful for accomplishing in vitro pre-compound screening steps while offering a possible solution to several economic obstacles inherent in the pharmaceutical industry., (Copyright © 2014 Elsevier Ltd. All rights reserved.)
- Published
- 2015
- Full Text
- View/download PDF
7. Supercomputer Search for Coagulation Factor XIIa Inhibitors in the Chinese National Compound Library
- Author
-
Kutov, Danil, Sulimov, Alexey, Tashchilova, Anna, Ilin, Ivan, Sulimov, Vladimir, Goos, Gerhard, Founding Editor, Hartmanis, Juris, Founding Editor, Bertino, Elisa, Editorial Board Member, Gao, Wen, Editorial Board Member, Steffen, Bernhard, Editorial Board Member, Yung, Moti, Editorial Board Member, Voevodin, Vladimir, editor, Sobolev, Sergey, editor, Yakobovskiy, Mikhail, editor, and Shagaliev, Rashit, editor
- Published
- 2023
- Full Text
- View/download PDF
8. A GPU-Accelerated Molecular Docking Workflow with Kubernetes and Apache Airflow
- Author
-
Medeiros, Daniel, Schieffer, Gabin, Wahlgren, Jacob, Peng, Ivy, Goos, Gerhard, Founding Editor, Hartmanis, Juris, Founding Editor, Bertino, Elisa, Editorial Board Member, Gao, Wen, Editorial Board Member, Steffen, Bernhard, Editorial Board Member, Yung, Moti, Editorial Board Member, Bienz, Amanda, editor, Weiland, Michèle, editor, Baboulin, Marc, editor, and Kruse, Carola, editor
- Published
- 2023
- Full Text
- View/download PDF
9. Intelligent Analytical Randomization of Clinical Trials
- Author
-
Sharma, Vandana, Singh, Shalini, Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Garg, Deepak, editor, Narayana, V. A., editor, Suganthan, P. N., editor, Anguera, Jaume, editor, Koppula, Vijaya Kumar, editor, and Gupta, Suneet Kumar, editor
- Published
- 2023
- Full Text
- View/download PDF
10. A Matrix Factorization-Based Drug-Virus Link Prediction Method for SARS-CoV-2 Drug Prioritization
- Author
-
Li, Yutong, Xu, Xiaorui, Tsoka, Sophia, Goos, Gerhard, Founding Editor, Hartmanis, Juris, Founding Editor, Bertino, Elisa, Editorial Board Member, Gao, Wen, Editorial Board Member, Steffen, Bernhard, Editorial Board Member, Yung, Moti, Editorial Board Member, Nicosia, Giuseppe, editor, Ojha, Varun, editor, La Malfa, Emanuele, editor, La Malfa, Gabriele, editor, Pardalos, Panos, editor, Di Fatta, Giuseppe, editor, Giuffrida, Giovanni, editor, and Umeton, Renato, editor
- Published
- 2023
- Full Text
- View/download PDF
11. Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
- Author
-
Thomas SE, Mendes V, Kim SY, Malhotra S, Ochoa-Montaño B, Blaszczyk M, and Blundell TL
- Subjects
- Drug Discovery history, History, 20th Century, History, 21st Century, Crystallography, X-Ray methods, Drug Discovery methods, Proteins chemistry
- Abstract
Interest in applications of protein crystallography to medicine was evident, as the first high-resolution structures emerged in the 50s and 60s. In Cambridge, Max Perutz and John Kendrew sought to understand mutations in sickle cell and other genetic diseases related to hemoglobin, while in Oxford, the group of Dorothy Hodgkin became interested in long-lasting zinc-insulin crystals for treatment of diabetes and later considered insulin redesign, as synthetic insulins became possible. The use of protein crystallography in structure-guided drug discovery emerged as enzyme structures allowed the identification of potential inhibitor-binding sites and optimization of interactions of hits using the structure of the target protein. Early examples of this approach were the use of the structure of renin to design antihypertensives and the structure of HIV protease in design of AIDS antivirals. More recently, use of structure-guided design with fragment-based drug discovery, which reduces the size of screening libraries by decreasing complexity, has improved ligand efficiency in drug design and has been used to progress three oncology drugs through clinical trials to FDA approval. We exemplify current developments in structure-guided target identification and fragment-based lead discovery with efforts to develop new antimicrobials for mycobacterial infections., (Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.)
- Published
- 2017
- Full Text
- View/download PDF
12. White Paper AGA: Drug Development for Eosinophilic Esophagitis.
- Author
-
Hirano I, Spechler S, Furuta G, and Dellon ES
- Subjects
- Humans, Clinical Trials as Topic, Drug Discovery trends, Eosinophilic Esophagitis drug therapy
- Abstract
Since first characterized in 2 small case series in the early 1990s, eosinophilic esophagitis (EoE) has emerged as a commonly identified cause of esophageal symptoms in children and adults.
1,2 Although several highly effectively dietary, pharmacologic, and endoscopic therapies have been reported, none is currently approved by either the US Food and Drug Administration (FDA) or European regulatory authorities. Evolving diagnostic criteria have challenged drug development, in particular the recognition of complex interactions with the most prevalent esophageal disorder, gastroesophageal reflux disease (GERD). Heterogeneity in the clinical presentations of affected children and adults has created difficulties with uniform inclusion criteria and the development of disease-specific, patient-reported outcome (PRO) instruments. Furthermore, controversies regarding the appropriate therapeutic endpoints of EoE have impeded the design of clinical trials. Despite these obstacles, collaborative efforts by investigators, industry, the FDA, and patient advocacy groups have resulted in substantial progress in drug development in EoE over the past 2 decades.3 The purpose of this article is to summarize discussions on EoE based on the 2016 Drug Development Conference sponsored by the Center for Diagnostics and Therapeutics of the American Gastroenterological Association., (Copyright © 2017 AGA Institute. Published by Elsevier Inc. All rights reserved.)- Published
- 2017
- Full Text
- View/download PDF
13. White Paper: Developing Antimicrobial Drugs for Resistant Pathogens, Narrow-Spectrum Indications, and Unmet Needs.
- Author
-
Boucher HW, Ambrose PG, Chambers HF, Ebright RH, Jezek A, Murray BE, Newland JG, Ostrowsky B, and Rex JH
- Subjects
- Animals, Humans, Randomized Controlled Trials as Topic, Research Design, Anti-Bacterial Agents pharmacology, Drug Discovery trends, Drug Resistance, Multiple, Bacterial, Gram-Negative Bacteria pathogenicity
- Abstract
Despite progress in antimicrobial drug development, a critical need persists for new, feasible pathways to develop antibacterial agents to treat people infected with drug-resistant bacteria. Infections due to resistant gram-negative bacilli continue to cause unacceptable morbidity and mortality rates. Antibacterial agents have been historically studied in noninferiority clinical trials that focus on a single site of infection (eg, complicated urinary tract infections, intra-abdominal infections), yet these designs may not be optimal, and often are not feasible, for study of infections caused by drug-resistant bacteria. Over the past several years, multiple stakeholders have worked to develop consensus regarding paths forward with a goal of facilitating timely conduct of antimicrobial development. Here we advocate for a novel and pragmatic approach and, toward this end, present feasible trial designs for antibacterial agents that could enable conduct of narrow-spectrum, organism-specific clinical trials and ultimately approval of critically needed new antibacterial agents., (© The Author 2017. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail: journals.permissions@oup.com.)
- Published
- 2017
- Full Text
- View/download PDF
14. Commentary on the MID3 Good Practices Paper.
- Author
-
Manolis E, Brogren J, Cole S, Hay JL, Nordmark A, Karlsson KE, Lentz F, Benda N, Wangorsch G, Pons G, Zhao W, Gigante V, Serone F, Standing JF, Dokoumetzidis A, Vakkilainen J, van den Heuvel M, Mangas Sanjuan V, Taminiau J, Kerwash E, Khan D, Musuamba FT, and Skottheim Rusten I
- Subjects
- Computer Simulation, Drug Industry, Europe, Drug Discovery, Models, Theoretical
- Abstract
During the last 10 years the European Medicines Agency (EMA) organized a number of workshops on modeling and simulation, working towards greater integration of modeling and simulation (M&S) in the development and regulatory assessment of medicines. In the 2011 EMA - European Federation of Pharmaceutical Industries and Associations (EFPIA) Workshop on Modelling and Simulation, European regulators agreed to the necessity to build expertise to be able to review M&S data provided by companies in their dossier. This led to the establishment of the EMA Modelling and Simulation Working Group (MSWG). Also, there was agreement reached on the need for harmonization on good M&S practices and for continuing dialog across all parties. The MSWG acknowledges the initiative of the EFPIA Model-Informed Drug Discovery and Development (MID3) group in promoting greater consistency in practice, application, and documentation of M&S and considers the paper is an important contribution towards achieving this objective., (© 2017 The Authors CPT: Pharmacometrics & Systems Pharmacology published by Wiley Periodicals, Inc. on behalf of American Society for Clinical Pharmacology and Therapeutics.)
- Published
- 2017
- Full Text
- View/download PDF
15. Landmark papers on the discovery of methotrexate for the treatment of rheumatoid arthritis and other systemic inflammatory rheumatic diseases: a fascinating story.
- Author
-
Malaviya AN
- Subjects
- Animals, Antimetabolites, Antineoplastic therapeutic use, Antirheumatic Agents adverse effects, Antirheumatic Agents history, Arthritis, Rheumatoid diagnosis, Arthritis, Rheumatoid history, History, 20th Century, Humans, Methotrexate adverse effects, Methotrexate history, Treatment Outcome, Antirheumatic Agents therapeutic use, Arthritis, Rheumatoid drug therapy, Drug Discovery history, Methotrexate therapeutic use, Rheumatology history
- Abstract
This review highlights the story of how methotrexate (MTX), a drug discovered for the treatment of childhood leukemia, became the mainstay of treatment and the standard-of-care for rheumatoid arthritis (RA) and was also found useful for several additional related rheumatological diseases. As against several synthetic disease-modifying antirheumatic drugs (csDMARDs) for treating RA that were discovered serendipitously, the use of low-dose MTX (LD-MTX) was based on sound reasoning and astute observations made in the 1940s and 1950s. The difference between high-dose MTX (HD-MTX) used in the treatment of childhood leukaemia and other malignancies as against LD-MTX used in rheumatology is emphasized., (© 2016 Asia Pacific League of Associations for Rheumatology and John Wiley & Sons Australia, Ltd.)
- Published
- 2016
- Full Text
- View/download PDF
16. The Convergence of HPC, AI and Big Data in Rapid-Response to the COVID-19 Pandemic
- Author
-
Sukumar, Sreenivas R., Balma, Jacob A., Rickett, Christopher D., Maschhoff, Kristyn J., Landman, Joseph, Yates, Charles R., Chittiboyina, Amar G., Peterson, Yuri K., Vose, Aaron, Byler, Kendall, Baudry, Jerome, Khan, Ikhlas A., Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Nichols, Jeffrey, editor, Maccabe, Arthur ‘Barney’, editor, Nutaro, James, editor, Pophale, Swaroop, editor, Devineni, Pravallika, editor, Ahearn, Theresa, editor, and Verastegui, Becky, editor
- Published
- 2022
- Full Text
- View/download PDF
17. CNS Anticancer Drug Discovery and Development Conference White Paper.
- Author
-
Levin VA, Tonge PJ, Gallo JM, Birtwistle MR, Dar AC, Iavarone A, Paddison PJ, Heffron TP, Elmquist WF, Lachowicz JE, Johnson TW, White FM, Sul J, Smith QR, Shen W, Sarkaria JN, Samala R, Wen PY, Berry DA, and Petter RC
- Subjects
- Animals, Clinical Trials as Topic, Disease Models, Animal, Disease-Free Survival, Endpoint Determination, Humans, Treatment Outcome, Antineoplastic Agents therapeutic use, Central Nervous System Neoplasms drug therapy, Drug Discovery, Glioma drug therapy, Medulloblastoma drug therapy
- Abstract
Following the first CNS Anticancer Drug Discovery and Development Conference, the speakers from the first 4 sessions and organizers of the conference created this White Paper hoping to stimulate more and better CNS anticancer drug discovery and development. The first part of the White Paper reviews, comments, and, in some cases, expands on the 4 session areas critical to new drug development: pharmacological challenges, recent drug approaches, drug targets and discovery, and clinical paths. Following this concise review of the science and clinical aspects of new CNS anticancer drug discovery and development, we discuss, under the rubric "Accelerating Drug Discovery and Development for Brain Tumors," further reasons why the pharmaceutical industry and academia have failed to develop new anticancer drugs for CNS malignancies and what it will take to change the current status quo and develop the drugs so desperately needed by our patients with malignant CNS tumors. While this White Paper is not a formal roadmap to that end, it should be an educational guide to clinicians and scientists to help move a stagnant field forward., (© The Author(s) 2015. Published by Oxford University Press on behalf of the Society for Neuro-Oncology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.)
- Published
- 2015
- Full Text
- View/download PDF
18. Bioinformatics Analysis of Oral Squamous Cell Carcinomas and Their Interaction to Identify Molecular Signatures
- Author
-
Sarker, Bandhan, Rahaman, Md. Matiur, Khan, Suman, Sinha, Jayashri Deb, Barman, Subhabrata, Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Sk, Arif Ahmed, editor, Turki, Turki, editor, Ghosh, Tarun Kumar, editor, Joardar, Subhankar, editor, and Barman, Subhabrata, editor
- Published
- 2022
- Full Text
- View/download PDF
19. Optimized Analysis Using Feature Selection Techniques for Drug Discovery Detection
- Author
-
Dadhwal, Abhay, Gupta, Meenu, Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Luhach, Ashish Kumar, editor, Jat, Dharm Singh, editor, Hawari, Kamarul Bin Ghazali, editor, Gao, Xiao-Zhi, editor, and Lingras, Pawan, editor
- Published
- 2022
- Full Text
- View/download PDF
20. Are there any new pharmacologic therapies on the horizon to better treat hypertension? A state-of-the-art paper.
- Author
-
Habib GB and Basra SS
- Subjects
- Animals, Drug Therapy, Combination, Humans, Hypertension complications, Hypertension diagnosis, Hypertension metabolism, Hypertension physiopathology, Molecular Targeted Therapy, Signal Transduction drug effects, Treatment Outcome, Antihypertensive Agents therapeutic use, Blood Pressure drug effects, Drug Discovery, Hypertension drug therapy
- Abstract
Hypertension is the most important cardiovascular risk factor. We have witnessed a significant improvement in hypertension treatment and control and an impressive growth in the pharmacologic options available to clinicians and hypertension specialists. With up to a third of patients with hypertension not at the recommended goal blood pressures, it is critically important to develop novel therapeutic approaches to better treat hypertension. This review will explore the ever-expanding horizon of antihypertensive treatment and will focus on 2 major areas of drug development. First, we will review novel targets for pharmacologic treatment and novel molecules and classes of drugs in various phases of development and recognize the limitations we face in their transition from research and development to clinical practice. Then, we will discuss an expanding array of combination strategies to better treat hypertension with the goal of minimizing the burden of cardiovascular and renal complications of hypertension., (© The Author(s) 2014.)
- Published
- 2014
- Full Text
- View/download PDF
21. Power of Recursion OS on Display at Genome Scale in Nature Genetics Paper Detailing Potential Limitation of CRISPR Gene Editing Tool
- Subjects
Genomics ,Operating systems ,Homeopathy -- Materia medica and therapeutics ,Genes ,Drug discovery ,Therapeutics ,64-bit operating system ,32-bit operating system ,Operating system ,Petroleum, energy and mining industries - Abstract
(GlobeNewswire) - Recursion (Nasdaq: RXRX), a leading clinical stage TechBio company decoding biology to industrialize drug discovery, today published in Nature Genetics scientific findings that highlights a potential limitation of [...]
- Published
- 2024
22. VIBRANT: a phenotyping method for drug discovery using vibrational spectroscopy.
- Subjects
- Spectrum Analysis, Vibration, Drug Discovery
- Published
- 2024
- Full Text
- View/download PDF
23. Application of Docking and Quantum Chemistry to the Search for Inhibitors of SARS-CoV-2 Main Protease
- Author
-
Tashchilova, Anna, Sulimov, Alexey, Ilin, Ivan, Kutov, Danil, Sulimov, Vladimir, Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Voevodin, Vladimir, editor, and Sobolev, Sergey, editor
- Published
- 2021
- Full Text
- View/download PDF
24. Activities Prediction of Drug Molecules by Using Automated Model Building with Descriptor Selection
- Author
-
Liu, Yue, Tian, Wenjie, Zhang, Hao, Filipe, Joaquim, Editorial Board Member, Ghosh, Ashish, Editorial Board Member, Prates, Raquel Oliveira, Editorial Board Member, Zhou, Lizhu, Editorial Board Member, Gao, Wanling, editor, Hwang, Kai, editor, Wang, Changyun, editor, Li, Weiping, editor, Qiu, Zhigang, editor, Wang, Lei, editor, Zhou, Aoying, editor, Qian, Weining, editor, Jin, Cheqing, editor, and Zhang, Zhifei, editor
- Published
- 2021
- Full Text
- View/download PDF
25. Determination of inhibitory activity of Salvia miltiorrhiza extracts on xanthine oxidase with a paper-based analytical device
- Author
-
Jingjing Pan, Shangxin Guo, Jingyuan Shao, Xingchu Gong, and Xiaohui Fan
- Subjects
Pharmaceutical Science ,Allopurinol ,RM1-950 ,Pharmacy ,Salvia miltiorrhiza ,Analytical Chemistry ,chemistry.chemical_compound ,Drug Discovery ,Electrochemistry ,medicine ,Glycerol ,Xanthine oxidase ,Spectroscopy ,Detection limit ,Chromatography ,Filter paper ,Salvia miltiorrhiza extract ,3D printing ,Point-of-care testing ,chemistry ,Reagent ,Polycaprolactone ,Paper-based analytical device (PAD) ,Therapeutics. Pharmacology ,medicine.drug - Abstract
A novel paper-based analytical device (PAD) was prepared and applied to determine the xanthine oxidase (XOD) inhibitory activity of Salvia miltiorrhiza extracts. First, polycaprolactone was 3D printed on filter paper and heated to form hydrophobic barriers. Then the modified paper was cut according to the specific design. Necessary reagents including XOD for the colorimetric assay were immobilized on two separate pieces of paper. By simply adding phosphate buffer, the reaction was performed on the double-layer PADs. Quantitative results were obtained by analyzing the color intensity with the specialized device system (including a smartphone, a detection box and sandwich plates). The 3D-printed detection box was small, with a size of 9.0 cm × 7.0 cm × 11.5 cm. Color component G performs well in terms of linearity and detection limits and thus was identified as the index. The reaction conditions were optimized using a definitive screening design. Moreover, a 10 % glycerol solution was found to be a suitable stabilizer. When the stabilizer was added, the activity of XOD could be maintained for at least 15 days under 4 °C or -20 °C storage conditions. The inhibitory activity of Salvia miltiorrhiza extracts was investigated and compared to that of allopurinol. The results obtained with the PADs showed agreement with those obtained with the microplate method. In conclusion, the proposed PAD method is simple, accurate and has potential for point-of-care testing. It also holds promise for use in rapid quality testing of medicinal herbs, intermediate products, and preparations of traditional Chinese medicines.
- Published
- 2021
26. Wet End Chemical Properties of a New Kind of Fire-Resistant Paper Pulp Based on Ultralong Hydroxyapatite Nanowires
- Author
-
Li-Ying Dong, Ying-Jie Zhu, and Jin Wu
- Subjects
Durapatite ,Nanowires ,Chemistry (miscellaneous) ,Organic Chemistry ,Drug Discovery ,nanowire ,hydroxyapatite ,fire-resistant paper ,paper pulp ,wet end chemical properties ,paper making ,Water ,Molecular Medicine ,Pharmaceutical Science ,Particle Size ,Physical and Theoretical Chemistry ,Anti-Bacterial Agents ,Analytical Chemistry - Abstract
In 2014, a new type of the fire-resistant paper based on ultralong hydroxyapatite (HAP) nanowires was reported by the author’s research group, which had superior properties and promising applications in various fields, such as high-temperature resistance, fire retardance, heat insulation, electrical insulation, energy, environmental protection, and biomedicine. The wet end chemical properties of the fire-resistant paper pulp are very important for papermaking and mechanical performance of the paper, which play a guiding role in the practical production of the fire-resistant paper. In this paper, the wet end chemical properties of a new kind of fire-resistant paper pulp based on ultralong HAP nanowires are studied for the first time by focusing on the wet end chemical parameters, the effects of these parameters on the properties such as flocculation, retention, draining, and white water circulation of the fire-resistant paper pulp, and their effects on the properties of the as-prepared fire-resistant paper. The experimental results indicated that the wet end chemical properties of the new kind of fire-resistant paper pulp based on ultralong HAP nanowires were unique and entirely different from those of the traditional paper pulp based on plant fibers. The wet end chemical properties of the fire-resistant paper pulp were significantly influenced by the inorganic adhesive and its content, which affected the runnability of the paper machine and the properties of the as-prepared fire-resistant paper. The flocculation properties of the fire-resistant paper pulp based on ultralong HAP nanowires were affected by the conductivity and Zeta potential. The addition of the inorganic adhesive in the fire-resistant paper pulp based on ultralong HAP nanowires could significantly increase the conductivity of the fire-resistant paper pulp, reduce the particle size of paper pulp floccules, and increase the tensile strength of the fire-resistant paper. In addition, the fire-resistant paper pulp based on ultralong HAP nanowires in the presence of inorganic adhesive exhibited excellent antibacterial performance. This work will contribute to and accelerate the commercialization process and applications of the new type of the fire-resistant paper based on ultralong HAP nanowires.
- Published
- 2022
- Full Text
- View/download PDF
27. Efficient prediction of relative ligand binding affinity in drug discovery.
- Subjects
- Ligands, Drug Discovery, Software
- Published
- 2023
- Full Text
- View/download PDF
28. ROME reports publication of paper in Nature regarding LINE-1 reverse transcriptase for drug discovery
- Subjects
Drug discovery ,DNA polymerases ,General interest ,News, opinion and commentary - Abstract
BOSTON: ROME Therapeutics, a biotechnology company harnessing the power of the dark genome to develop breakthrough medicines for serious diseases, announced a landmark publication in Nature revealing the first high-resolution [...]
- Published
- 2023
29. ROME Publishes Landmark Nature Paper Revealing First High-Resolution Structure of LINE-1 Reverse Transcriptase (RT) for Drug Discovery
- Subjects
Genomics ,Drug discovery ,DNA polymerases ,Business ,Business, international - Abstract
Research completed through collaboration with leading institutions produced the structure of LINE-1 RT using X-ray crystallography and cryo-electron microscopy, which can enable further rational drug design Publication outlines key LINE-1 [...]
- Published
- 2023
30. Integrating a Luminescent Porous Aromatic Framework into Indicator Papers for Facile, Rapid, and Selective Detection of Nitro Compounds
- Author
-
Bo Cui, Changyuan Gao, Jiating Fan, Jinni Liu, Bin Feng, Xianghui Ruan, Yajie Yang, Ye Yuan, Kuo Chu, Zhuojun Yan, and Lixin Xia
- Subjects
porous aromatic framework ,luminescence ,nitro compounds ,indicator paper ,selective detection ,Organic Chemistry ,Pharmaceutical Science ,Esters ,Nitro Compounds ,Analytical Chemistry ,Chemistry (miscellaneous) ,Drug Discovery ,Molecular Medicine ,Physical and Theoretical Chemistry ,Powders ,Porosity ,Nitrobenzenes ,Palladium ,Fluorescent Dyes - Abstract
Porous aromatic framework materials with high stability, sensitivity, and selectivity have great potential to provide new sensors for optoelectronic/fluorescent probe devices. In this work, a luminescent porous aromatic framework material (LNU-23) was synthesized via the palladium-catalyzed Suzuki cross-coupling reaction of tetrabromopyrene and 1,2-bisphenyldiborate pinacol ester. The resulting PAF solid exhibited strong fluorescence emission with a quantum yield of 18.31%, showing excellent light and heat stability. Because the lowest unoccupied molecular orbital (LUMO) of LNU-23 was higher than that of the nitro compounds, there was an energy transfer from the excited LNU-23 to the analyte, leading to the selective fluorescence quenching with a limit of detection (LOD) ≈ 1.47 × 10−5 M. After integrating the luminescent PAF powder on the paper by a simple dipping method, the indicator papers revealed a fast fluorescence response to gaseous nitrobenzene within 10 s, which shows great potential in outdoor fluorescence detection of nitro compounds.
- Published
- 2022
- Full Text
- View/download PDF
31. Influence of Nanocellulose Structure on Paper Reinforcement
- Author
-
Waldemar Perdoch, Zhuoran Cao, Patryk Florczak, Roksana Markiewicz, Marcin Jarek, Konrad Olejnik, and Bartłomiej Mazela
- Subjects
Paper ,Ethanol ,nanocellulose ,paper conservation ,tissue reinforcement ,nanocellulose modification ,Organic Chemistry ,Nanofibers ,Pharmaceutical Science ,Water ,Analytical Chemistry ,Chemistry (miscellaneous) ,Drug Discovery ,Molecular Medicine ,Nanoparticles ,Physical and Theoretical Chemistry ,Cellulose - Abstract
This article describes how crystalline or fibrous nanocellulose influences the mechanical properties of paper substrate. In this context, we used commercially available cellulose nanocrystals, mechanically prepared cellulose nanofibers dispersed in water or ethanol, and carboxy cellulose nanofibers. Selective reinforcement of the paper treated with the nanocellulose samples mentioned above was observed. The change in the fibre structure was assessed using scanning electron microscopy, roentgenography, and spectroscopy techniques. In addition, the effect of nanocellulose coating on physical properties was evaluated, specifically tensile index, elongation coefficient, Elmendorf tear resistance, Bendtsen surface roughness, Bendtsen air permeability, and bending strength. It can be concluded that the observed decrease in the strength properties of the paper after applying some NC compositions is due to the loss of potential disturbances in hydrogen bonds between the nanocellulose dispersed in ethanol and the paper substrate. On the other hand, significantly increased strength was observed in the case of paper reinforced with nanocellulose functionalized with carboxyl groups.
- Published
- 2022
32. Paper-Based Probes with Visual Response to Vapors from Nitroaromatic Explosives: Polyfluorenes and Tertiary Amines
- Author
-
Roberto Aguado, A. Rita M. G. Santos, Saúl Vallejos, and Artur J. M. Valente
- Subjects
Explosius ,Paper analytical devices ,Polymers ,Cel·lulosa ,Organic Chemistry ,Chemistry, Organic ,Pharmaceutical Science ,Química orgánica ,Nitroaromatics ,Analytical Chemistry ,Dinitrobenzenes ,Meisenheimer complex ,Polyfluorenes ,Explosive Agents ,Chemistry (miscellaneous) ,cellulose ,explosive detection ,nitroaromatics ,paper analytical devices ,polyfluorenes ,Drug Discovery ,Explosives ,Molecular Medicine ,Gases ,Amines ,Physical and Theoretical Chemistry ,Cellulose ,Explosive detection ,Trinitrotoluene - Abstract
Although it is well-known that nitroaromatic compounds quench the fluorescence of different conjugated polymers and form colored Meisenheimer complexes with proper nucleophiles, the potential of paper as a substrate for those macromolecules can be further developed. This work undertakes this task, impregnating paper strips with a fluorene-phenylene copolymer with quaternary ammonium groups, a bisfluorene-based cationic polyelectrolyte, and poly(2-(dimethylamino)ethyl methacrylate) (polyDMAEMA). Cationic groups make the aforementioned polyfluorenes attachable to paper, whose surface possesses a slightly negative charge and avoid interference from cationic quenchers. While conjugated polymers had their fluorescence quenched with nitroaromatic vapors in a non-selective way, polyDMAEMA-coated papers had a visual response that was selective to 2,4,6-trinitrotoluene (TNT), and that could be easily identified, and even quantified, under natural light. Far from implying that polyfluorenes should be ruled out, it must be taken into account that TNT-filled mines emit vapors from 2,4-dinitrotoluene (DNT) and dinitrobenzene isomers, which are more volatile than TNT itself. Atmospheres with only 790 ppbv TNT or 277 ppbv DNT were enough to trigger a distinguishable response, although the requirement for certain exposure times is an important limitation., This work was carried out under the Project inpactus—innovative products and technologies from eucalyptus, Project No. 21874 funded by Portugal 2020 through European Regional Development Fund (ERDF) in the frame of COMPETE 2020 No. 246/AXIS II/2017. Finantial support from the Coimbra Chemistry Centre (CQC), which is supported by the Fundação para a Ciência e a Tecnologia (FCT) through the programs UID/QUI/00313/2020 and COMPETE is gratefully acknowledged.
- Published
- 2022
33. Application of an integrated methodology for the synthesis of water networks and wastewater treatment in the pulp and paper industry / Aplicação de uma metodologia integrada para síntese de redes de água e tratamento de efluentes na indústria de papel e celulose
- Author
-
Reinaldo Coelho Mirre, Thamiris Dias Silva Mascarenhas, and Lídia Yokoyama
- Subjects
Marketing ,Pharmacology ,Organizational Behavior and Human Resource Management ,Strategy and Management ,Drug Discovery ,Pharmaceutical Science ,Environmental science ,Sewage treatment ,Pulp and paper industry - Published
- 2021
34. All around suboptimal health — a joint position paper of the Suboptimal Health Study Consortium and European Association for Predictive, Preventive and Personalised Medicine
- Author
-
Olga Golubnitschaja, Bo Li, Zhaohua Zhong, Youxin Wang, Yulu Zheng, Yuxiang Yan, Xiuhua Guo, Enoch Odame Anto, Haifeng Hou, Zheng Guo, Timothy Kang, Monique Garcia, Gehendra Mahara, Xuerui Tan, and Wei Wang
- Subjects
Behavioural patterns ,Medical ethics ,Sleep medicine ,Artificial intelligence (AI) ,Drug Discovery ,Health care ,Periodontal health ,Body mass index (BMI) ,Individualised patient profile ,Risk assessment ,Big data management ,Dietary habits ,Glycan ,Cardiovascular disease ,Health policy ,Adolescence ,Mood disorders ,Cancers ,medicine.medical_specialty ,Suboptimal health status (SHS) ,Stress overload ,Communicable ,Multi-parametric analysis ,Neurologic diseases ,Omics ,Risk management tools ,behavioral disciplines and activities ,medicine ,Predictive preventive personalised medicine (PPPM/3PM) ,Modifiable preventable risks ,Non-communicable diseases ,Intensive care medicine ,Epidemics ,Health economy ,Pandemics ,Liquid biopsy ,business.industry ,Research ,Biochemistry (medical) ,COVID-19 ,Traditional medicine ,medicine.disease ,Lifestyle ,Multi-level diagnostics ,Position paper ,Eye disorder ,Microbiome ,business ,Natural substances - Abstract
First two decades of the twenty-first century are characterised by epidemics of non-communicable diseases such as many hundreds of millions of patients diagnosed with cardiovascular diseases and the type 2 diabetes mellitus, breast, lung, liver and prostate malignancies, neurological, sleep, mood and eye disorders, amongst others. Consequent socio-economic burden is tremendous. Unprecedented decrease in age of maladaptive individuals has been reported. The absolute majority of expanding non-communicable disorders carry a chronic character, over a couple of years progressing from reversible suboptimal health conditions to irreversible severe pathologies and cascading collateral complications. The time-frame between onset of SHS and clinical manifestation of associated disorders is the operational area for an application of reliable risk assessment tools and predictive diagnostics followed by the cost-effective targeted prevention and treatments tailored to the person.This article demonstrates advanced strategies in bio/medical sciences and healthcare focused on suboptimal health conditions in the frame-work of Predictive, Preventive and Personalised Medicine (3PM/PPPM). Potential benefits in healthcare systems and for society at large include but are not restricted to an improved life-quality of major populations and socio-economical groups, advanced professionalism of healthcare-givers and sustainable healthcare economy. Amongst others, following medical areas are proposed to strongly benefit from PPPM strategies applied to the identification and treatment of suboptimal health conditions:Stress overload associated pathologiesMale and female healthPlanned pregnanciesPeriodontal healthEye disordersInflammatory disorders, wound healing and pain management with associated complicationsMetabolic disorders and suboptimal body weightCardiovascular pathologiesCancersStroke, particularly of unknown aetiology and in young individualsSleep medicineSports medicineImproved individual outcomes under pandemic conditions such as COVID-19.
- Published
- 2021
35. Deep Semi-supervised Learning for Virtual Screening Based on Big Data Analytics
- Author
-
Bahi, Meriem, Batouche, Mohamed, Barbosa, Simone Diniz Junqueira, Series Editor, Filipe, Joaquim, Series Editor, Kotenko, Igor, Series Editor, Sivalingam, Krishna M., Series Editor, Washio, Takashi, Series Editor, Yuan, Junsong, Series Editor, Zhou, Lizhu, Series Editor, Tabii, Youness, editor, Lazaar, Mohamed, editor, Al Achhab, Mohammed, editor, and Enneya, Nourddine, editor
- Published
- 2018
- Full Text
- View/download PDF
36. One-drop micro-array towards accelerated optical quantification of dopamine in human biofluids using triangular silver nanoparticles: Smartphone-assisted biomedical analysis by colorimetric sensing and Lab-on-paper technology.
- Author
-
Navay Baghban, Hossein, Kholafazad, Houman, Nilghaz, Azadeh, Ebrahimi, Rokhsareh, Hasanzadeh, Mohammad, and Shadjou, Nasrin
- Subjects
- *
COLORIMETRIC analysis , *SMARTPHONES , *DOPAMINE , *DRUG discovery , *BODY fluids , *SILVER nanoparticles , *RAMAN scattering - Abstract
[Display omitted] • Triangular silver nanoprism (AgNPrs) was synthesized using novel hydrothermal protocol. • AgNPrs was used for the identification of dopamine in human biofluids using colorimetric and spectrophotometric assay. • A novel photochemical one-drop microarray was proposed for the low-cost sensing of dopamine. Trace-level detection of Dopamine (DA) in human body fluids is crucial for diagnosing neurological disorders, understanding mental health, and advancing drug discovery, but found challenging with rapid and low-cost detection technologies. Herein, an innovative paper-based photochemical method has been developed for the detection of DA using triangular silver nanoprism (AgNPrs), as an optical nanoprobe, in human blood plasma and urine samples. The redox reaction between DA and AgNPrs was evaluated through a color change at two pHs (5.35and 6.14), which can be analyzed by UV–Vis spectrophotometry and microfluidic paper-based colorimetric device (µ PCD) with low limit of quantification of 0.01 µM. This study presents pioneering work with the potential to inspire the development of simple and effective on-site semi quantifying recognition devices for other neurotransmitters, requiring only a lightweight piece of paper and a single drop of the necessary reagent. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
37. A Fluorescent Molecularly Imprinted Polymer-Coated Paper Sensor for On-Site and Rapid Detection of Glyphosate
- Author
-
Meng Wang, Jun Qiu, Chennuo Zhu, Yunyan Hua, Jie Yu, Lulu Jia, Jianhong Xu, Jianlin Li, and Qianjin Li
- Subjects
Chemistry (miscellaneous) ,Organic Chemistry ,Drug Discovery ,Molecular Medicine ,Pharmaceutical Science ,Physical and Theoretical Chemistry ,molecular imprinting ,paper sensor ,glyphosate ,pesticide residues ,rapid detection ,Analytical Chemistry - Abstract
Due to the massive use and abuse of pesticides, practices which have led to serious threats to human health, the research community must develop on-site and rapid detection technology of pesticide residues to ensure food safety. Here, a paper-based fluorescent sensor, integrated with molecularly imprinted polymer (MIP) targeting glyphosate, was prepared by a surface-imprinting strategy. The MIP was synthesized by a catalyst-free imprinting polymerization technique and exhibited highly selective recognition capability for glyphosate. The MIP-coated paper sensor not only remained selective, but also displayed a limit of detection of 0.29 µmol and a linear detection range from 0.5 to 10 µmol. Moreover, the detection time only took about 5 min, which is beneficial for rapid detection of glyphosate in food samples. The detection accuracy of such paper sensor was good, with a spiked recovery rate of 92–117% in real samples. The fluorescent MIP-coated paper sensor not only has good specificity, which is helpful to reduce the food matrix interference and shorten the sample pretreatment time, but it also has the merits of high stability, low-cost and ease of operation and carrying, displaying great potential for application in the on-site and rapid detection of glyphosate for food safety.
- Published
- 2023
38. Enveric Biosciences Announces Publication of a Paper Describing a Novel Bioproduction Platform for Psychedelic-Inspired Drug Discovery in the Journal of Biological Chemistry
- Subjects
Drug discovery ,Biotechnology industry -- Officials and employees ,Hallucinogenic drugs ,Enzymes ,Business ,Business, international - Abstract
Paper co-authored by Enveric researchers describes the discovery of a key cane toad enzyme and its application to the biosynthesis of novel indolethylamine-type drug candidates with potential use in psychiatric [...]
- Published
- 2023
39. ATR-FTIR analysis of filter paper with mass addition of seaweed Ulva Rigida C. Agardh
- Author
-
Steluța Gosav, Antoaneta Ene, and Florina Cristiana (Filote) Căpriță
- Subjects
Marketing ,Pharmacology ,Organizational Behavior and Human Resource Management ,Strategy and Management ,Drug Discovery ,Pharmaceutical Science - Abstract
This paper presents the results obtained from the analysis of some filter paper samples using Fourier Transform Infrared Spectroscopy (FTIR) technique. Based on the FTIR capabilities, using the infrared light to scan the samples and identify their chemical properties, organic, polymeric and inorganic materials can be characterized. The samples analysed were six filter papers with different mass additions of Ulva Rigida C. Agardh seaweed collected from the Black Sea, in Constanta area, SE Romania. The additions used consisted of 0.5%, 1%, 2%, 4% and 8% seaweed material, grounded to a certain grain size.
- Published
- 2022
40. Exosomes and Paper-Based Biosensors for Early Oral Cancer Screening
- Author
-
null Dinesh Y, null Pratibha Ramani, and null Karthikeyan Ramalingam
- Subjects
Pharmacology ,Drug Discovery ,Pharmaceutical Science - Abstract
Oral cancer is a severe hazard across the world due to its poor overall survival and potential to metastasize to different sites of the body. Despite recent advances in diagnostics, detecting Oral Potentially Malignant Disorders (OPMDs) remains difficult. Conventional clinical diagnostics with assisted vital staging and optical approaches like velscope to identify OPMDs are both complex and ineffective. Rapid, easier, non-invasive and non-expensive methods with high sensitivity and specificity for precise diagnosis of OPMDs and Oral Cancer is the need of the hour to improve patient survival. Exosomes has recently become an appealing cancer biomarker in non-invasive early detection. Exosomes have unique physiology and pathology characteristics that reflect the cancer microenvironment and play a critical role in the incidence and development of cancer. Paper based biosensors have generated a lot of interest because of their excellent qualities like reduced technique sensitivity and real time output implying prospective role in cancer detection. In this review, we discuss in detail about paper based biosensor tools for early detection of various biomarkers, especially molecular identification and exosomes in oral cancer.
- Published
- 2022
41. Microfluidic Paper-based Device for Medicinal Diagnosis
- Author
-
Atchara, Lomae, Pattarachaya, Preechakasedkit, Kanyapat, Teekayupak, Yosita, Panraksa, Jutiporn, Yukird, Orawon, Chailapakul, and Nipapan, Ruecha
- Subjects
Drug Discovery ,General Medicine - Abstract
Background: The demand for point-of-care testing (POCT) devices has rapidly grown since they offer immediate test results with ease of use, makingthem suitable for home self-testing patients and caretakers. However, the POCT development has faced the challenges of increased cost and limited resources. Therefore, the paper substrate as a low-cost material has been employed to develop a cost-effective POCT device, known as “Microfluidic paper-based analytical devices (μPADs)”. This device is gaining attention as a promising tool for medicinal diagnostic applications owing to its unique features of simple fabrication, low cost, enabling manipulation flow (capillarydriven flow), the ability to store reagents, and accommodating multistep assay requirements. Objective: This review comprehensively examines the fabrication methods and device designs (2D/3D configuration) and their advantages and disadvantages, focusing on updated μPADs applications for motif identification. Methods: The evolution of paper-based devices, starting from the traditional devices of dipstick and lateral flow assay (LFA) with μPADs, has been described. Patterned structure fabrication of each technique has been compared among the equipment used, benefits, and drawbacks. Microfluidic device designs, including 2D and 3D configurations, have been introduced as well as their modifications. Various designs of μPADs have been integrated with many powerful detection methods such as colorimetry, electrochemistry, fluorescence, chemiluminescence, electrochemiluminescence, and SER-based sensors for medicinal diagnosis applications. Conclusion: The μPADs potential to deal with commercialization in terms of the state-of-the-art of μPADs in medicinal diagnosis has been discussed. A great prototype, which is currently in a reallife application breakthrough, has been updated.
- Published
- 2022
42. A white paper on a neurodevelopmental framework for drug discovery in autism and other neurodevelopmental disorders
- Author
-
Anett Kaale, Tony Charman, Covadonga M. Díaz-Caneja, Claudia Bagni, Matthew W. State, Stefan Leucht, Declan G. Murphy, F. de Andres-Trelles, Spyridon Siafis, Jan K. Buitelaar, Oscar Marín, Emily Simonoff, C. Arango, Daniel Umbricht, J Cusak, Randi J Hagerman, Gahan Pandina, M. Parellada, Sébastien Jacquemont, Eva Loth, P P Wang, and Baltazar Gomez-Mancilla
- Subjects
Autism ,Psychological intervention ,03 medical and health sciences ,0302 clinical medicine ,White paper ,Clinical trials ,Multidisciplinary approach ,130 000 Cognitive Neurology & Memory ,medicine ,Genetics ,Humans ,Pharmacology (medical) ,Autistic Disorder ,Child ,Biological Psychiatry ,Pharmacology ,Neurodevelopmental disorders Donders Center for Medical Neuroscience [Radboudumc 7] ,Drug discovery ,Neurodevelopmental disorders ,Settore BIO/13 ,medicine.disease ,030227 psychiatry ,ddc ,Clinical trial ,Neuropsychopharmacology ,Psychiatry and Mental health ,Neurology ,Drug development ,Engineering ethics ,Neurology (clinical) ,030217 neurology & neurosurgery - Abstract
Contains fulltext : 235396.pdf (Publisher’s version ) (Open Access) In the last decade there has been a revolution in terms of genetic findings in neurodevelopmental disorders (NDDs), with many discoveries critical for understanding their aetiology and pathophysiology. Clinical trials in single-gene disorders such as fragile X syndrome highlight the challenges of investigating new drug targets in NDDs. Incorporating a developmental perspective into the process of drug development for NDDs could help to overcome some of the current difficulties in identifying and testing new treatments. This paper provides a summary of the proceedings of the 'New Frontiers Meeting' on neurodevelopmental disorders organised by the European College of Neuropsychopharmacology in conjunction with the Innovative Medicines Initiative-sponsored AIMS-2-TRIALS consortium. It brought together experts in developmental genetics, autism, NDDs, and clinical trials from academia and industry, regulators, patient and family associations, and other stakeholders. The meeting sought to provide a platform for focused communication on scientific insights, challenges, and methodologies that might be applicable to the development of CNS treatments from a neurodevelopmental perspective. Multidisciplinary translational consortia to develop basic and clinical research in parallel could be pivotal to advance knowledge in the field. Although implementation of clinical trials for NDDs in paediatric populations is widely acknowledged as essential, safety concerns should guide each aspect of their design. Industry and academia should join forces to improve knowledge of the biology of brain development, identify the optimal timing of interventions, and translate these findings into new drugs, allowing for the needs of users and families, with support from regulatory agencies.
- Published
- 2021
43. Morphometric study of sexual dimorphism in sacrum- A review paper
- Author
-
Gopal Sharma and Stuti Srivastava
- Subjects
Marketing ,Pharmacology ,Organizational Behavior and Human Resource Management ,Strategy and Management ,Drug Discovery ,Pharmaceutical Science - Abstract
The accurate observations and measurable investigations to identify the sex is the intrinsic step in biological profile development of the sample. In such scenario, sacrum identifies unknown sex and associated sex related functional differences more precisely. In the past, studies have shown that the morphological features of the sacrum are influenced by the sex hormone secretion and its associated reproductive functions. There are several parameters that can be considered when the sacral dimorphism is considered. Along with the sacrum measurements, the subpubic angle of the individual can also be measured. Among all the parameters used, the breadth and curvature of the sacrum were reliable indicators of sex among these measures. Additionally, it was also reported that none of the criteria could completely determine the sex of the bones. Therefore, it can be said that in order to determine the sex of the sacrum with 100 percent accuracy, consideration of all the parameters should be done. Further, other factors associated with the environment, physical stress, and genetic factors also affects this measurement. Hence, a groundwork about the previous research, is required while evaluating the sexual dimorphism in sacrum.
- Published
- 2023
44. Starch-Silane Structure and Its Influence on the Hydrophobic Properties of Paper
- Author
-
Tomasz Nowak, Bartłomiej Mazela, Konrad Olejnik, Barbara Peplińska, and Waldemar Perdoch
- Subjects
Polymers ,Organic Chemistry ,food and beverages ,Pharmaceutical Science ,Water ,Starch ,Silanes ,Analytical Chemistry ,silylated starch ,hydrophobic agent ,starch hydrophobization ,paper coating ,cellulose ,Chemistry (miscellaneous) ,Drug Discovery ,Molecular Medicine ,Physical and Theoretical Chemistry ,Hydrophobic and Hydrophilic Interactions - Abstract
Starch is an inexpensive, easily accessible, and widespread natural polymer. Due to its properties and availability, this polysaccharide is an attractive precursor for sustainable products. Considering its exploitation in adhesives and coatings, the major drawback of starch is its high affinity towards water. This study aims to explain the influence of the silane-starch coating on the hydrophobic properties of paper. The analysis of the organosilicon modified starch properties showed an enhanced hydrophobic behavior, suggesting higher durability for the coatings. Molecules of silanes with short aliphatic carbon chains were easily embedded in the starch structure. Longer side chains of silanes were primarily localized on the surface of the starch structure. The best hydrophobic properties were obtained for the paper coated with the composition based on starch and methyltrimethoxysilane. This coating also improved the bursting resistance and compressive strength of the tested paper. A static contact angle higher than 115° was achieved. PDA analysis confirmed the examined material exhibited high barrier properties towards water. The results extend the knowledge of the interaction of silane compositions in the presence of starch.
- Published
- 2022
45. Carbon Papers from Tall Goldenrod Cellulose Fibers and Carbon Nanotubes for Application as Electromagnetic Interference Shielding Materials
- Author
-
Jihyun Park, Lee Ku Kwac, Hong Gun Kim, and Hye Kyoung Shin
- Subjects
Chemistry (miscellaneous) ,Nanotubes, Carbon ,Organic Chemistry ,Drug Discovery ,Molecular Medicine ,Pharmaceutical Science ,Physical and Theoretical Chemistry ,Cellulose ,Electromagnetic Phenomena ,Ecosystem ,Analytical Chemistry ,Solidago ,tall goldenrod ,electromagnetic interference shielding materials ,carbon nanotube ,carbon papers - Abstract
To transform tall goldenrods, which are invasive alien plant that destroy the ecosystem of South Korea, into useful materials, cellulose fibers isolated from tall goldenrods are applied as EMI shielding materials in this study. The obtained cellulose fibers were blended with CNTs, which were used as additives, to improve the electrical conductivity. TGCF/CNT papers prepared using a facile paper manufacturing process with various weight percent ratios and thickness were carbonized at high temperatures and investigated as EMI shielding materials. The increase in the carbonization temperature, thickness, and CNT content enhanced the electrical conductivity and EMI SE of TGCF/CNT carbon papers. TGCF/CNT-15 papers, with approximately 4.5 mm of thickness, carbonized at 1300 °C exhibited the highest electrical conductivity of 6.35 S cm−1, indicating an EMI SE of approximately 62 dB at 1.6 GHz of the low frequency band. Additionally, the obtained TGCF/CNT carbon papers were flexible and could be bent and wound without breaking.
- Published
- 2022
- Full Text
- View/download PDF
46. Evaluating the Conservation State of Naturally Aged Paper with Raman and Luminescence Spectral Mapping: Toward a Non-Destructive Diagnostic Protocol
- Author
-
Sabina Botti, Francesca Bonfigli, Valentina Nigro, Alessandro Rufoloni, Angelo Vannozzi, Botti, Sabina, Bonfigli, Francesca, Nigro, Valentina, Rufoloni, Alessandro, and Vannozzi, Angelo
- Subjects
Raman spectral imaging ,Organic Chemistry ,Pharmaceutical Science ,cultural heritage ,Analytical Chemistry ,luminescence spectral imaging ,Chemistry (miscellaneous) ,Drug Discovery ,Raman spectroscopy ,Molecular Medicine ,Physical and Theoretical Chemistry ,paper ageing diagnostics ,luminescence spectroscopy - Abstract
Micro-Raman and luminescence spectroscopy were combined with morphological analysis to study the conservation state of differently degraded paper samples, dated from 1873 to 2021. The aim of the work reported in this paper was to obtain ageing markers based on variations of Raman and fluorescence spectral features. Raman and luminescence spectra were acquired by scanning non-printed areas of books, and Raman and fluorescence maps were built by contrasting spectral parameters point by point, obtaining a micron-scale space resolved imaging of the degradation pattern. Complementary information on paper morphology and surface compactness were obtained by high-resolution scanning electron and atomic force microscopy. The proposed non-destructive procedure is particularly interesting for precious and ancient samples to analyze their degradation processes and to evaluate the performance and effectiveness of restoration treatments.
- Published
- 2022
47. Tablets Made from Paper : An Industrially Feasible Approach
- Author
-
Ayat Abdelkader, Christoph Moos, Adrien Pelloux, Marcus Pfeiffer, Christian Alter, Stefan Kolling, Cornelia M. Keck, and Pharmazeutische Technologie und Biopharmazie
- Subjects
ddc:615 ,Drug Discovery ,Pharmacology + therapeutics, prescription drugs ,Pharmaceutical Science ,Molecular Medicine ,Pharmakologie, Therapeutik ,granules ,instrumented die compression ,paper ,mechanical modeling ,tablet manufacturing ,oral drug delivery - Abstract
Many orally administrated drugs exhibit poor bioavailability due to their limited solubility. The smartFilm technology is an innovative approach to improve the drug aqueous solubility, where the drug is embedded within the matrix of cellulose-based paper in an amorphous state, hence increasing its solubility. Despite its proven effectiveness, smartFilms, i.e., pieces of paper, exhibit limited flowability and are not easy to swallow, and thus oral administration is not convenient. In addition, there is a lack of knowledge of their mechanical behavior under compression. This study aimed to transform unloaded smartFilms, i.e., paper, into a flowable physical form and investigated its mechanical behavior when compressed. Granules made of paper were prepared via wet granulation and were compressed into tablets. The influence of using different amounts and forms of sucrose, as a binder, on the pharmaceutical properties of the produced granules and tablets was studied and the most suitable composition was identified by using instrumented die experiments. For this, the Poisson’s ratio and Young’s modulus were determined for different compaction force levels and the deformation behavior was estimated with the Heckel mathematical model. All granule batches showed good flowability with angle of repose values between 25–35°. Granule batches with ≤30% dry sucrose content produced tablets that fulfilled the European Pharmacopeia requirements, and the compaction behavior of the granules was found to be comparable to the behavior of classical binders and compression enhancers. Paper can be transferred into granules. These granules can be used as suitable intermediate products for the production of tablets made of paper in large, industrial scale.
- Published
- 2022
48. Enhancement of the Detection Performance of Paper-Based Analytical Devices by Nanomaterials
- Author
-
Renzhu Pang, Qunyan Zhu, Jia Wei, Xianying Meng, and Zhenxin Wang
- Subjects
Paper ,Diagnostic Tests, Routine ,Pharmaceutical Science ,Organic chemistry ,signal enhancement ,Review ,paper-based analytical devices ,Microfluidic Analytical Techniques ,Nanostructures ,Analytical Chemistry ,point-of-care testing ,QD241-441 ,Chemistry (miscellaneous) ,Drug Discovery ,Humans ,Molecular Medicine ,Biological Assay ,Physical and Theoretical Chemistry ,nanomaterials - Abstract
Paper-based analytical devices (PADs), including lateral flow assays (LFAs), dipstick assays and microfluidic PADs (μPADs), have a great impact on the healthcare realm and environmental monitoring. This is especially evident in developing countries because PADs-based point-of-care testing (POCT) enables to rapidly determine various (bio)chemical analytes in a miniaturized, cost-effective and user-friendly manner. Low sensitivity and poor specificity are the main bottlenecks associated with PADs, which limit the entry of PADs into the real-life applications. The application of nanomaterials in PADs is showing great improvement in their detection performance in terms of sensitivity, selectivity and accuracy since the nanomaterials have unique physicochemical properties. In this review, the research progress on the nanomaterial-based PADs is summarized by highlighting representative recent publications. We mainly focus on the detection principles, the sensing mechanisms of how they work and applications in disease diagnosis, environmental monitoring and food safety management. In addition, the limitations and challenges associated with the development of nanomaterial-based PADs are discussed, and further directions in this research field are proposed.
- Published
- 2022
49. Australia's Pharmacology Research: A Scientometric Assessment of High-Cited Papers During 2002–2021.
- Author
-
Ahmed, K.K. Mueen, Gupta, B.M., and Mamdapur, Ghouse Modin
- Subjects
- *
DRUG discovery , *DRUG delivery systems , *PHARMACOLOGY , *ANTIBACTERIAL agents , *ANIMAL experimentation - Abstract
Objectives: To analyze Australia's high-cited papers (HCPs) receiving ≥100 citations in pharmacology during 2002–2021 and examine the research characteristics, study performance of the top 30 leading participating organizations and authors, and identification of top 30 journals publishing in this area and sub-fields of their research. Materials and Methods: Australia's HCPs on pharmacology research from the top 30 most productive organizations were identified and extracted from the Scopus database from 2002 to 2021 on 21 September 2022 using a search strategy. Select bibliometric measures were utilized to evaluate the publication productivity of important players in this area. The network analysis was performed to evaluate the collaborative interactions amongst the countries, organizations, authors, and keywords. Results: Of the 19,418 Australia's publications (articles) in pharmacology from the top 30 most productive organizations during 2002–2022, only 685 (3.53%) were HCPs, which together received 1,14,623 citations, averaging 164.4 citations per paper (CPP) and the citations ranged from 100 to 1,230. Two papers had more than 1,000 citations and 16 papers had 500 citations. Of the 685 HCPs, 40.58% (278) and 11.39% (78) received external funding support and were international collaboratives. The most productive organizations were Monash University (n = 155), the University of Queensland (n = 111) and the University of Melbourne (n = 97). The most impactful organizations in terms of CPP and relative citation index (RCI) were James Cook University (203.22 and 1.21), Australian National University (196.67 and 1.18) and Queensland University of Technology (193.45 and 1.16). The most productive authors were J. Li (n = 24), C. J. H. Porter (n = 24) and R. L. Nation (n = 23) (Monash University, Melbourne); and the most impactful authors in terms of CPP were A. Christopoulos (Monash Institute of Pharmaceutical Sciences, Melbourne) (288.21), C.W. Pouton (Monash University, Melbourne) (241.50), and D.L. Peterson (University of Queensland, Brisbane) (225.58). The most productive journals were Antimicrobial Agents and Chemotherapy (n = 59), Environmental Pollution (n = 43) and Journal of Medicinal Chemistry (n = 42). The most impactful journals in terms of CPP were Nature Reviews Drug Discovery (371.8), Antiviral Research (286.86) and European Journal of Pharmaceutical Sciences (253.0). The most important keywords with their frequency of appearances were Animal Experiments (108), Metabolism (76), Drug Effects (67), Animal Models (65), Protein Expression (64), Anti-Bacterial Agents (62), Drug Delivery Systems (54), Drug Formulation (44), Signal Transduction (42), and so on. Conclusion: There is an urgent need to increase national funding and expand international collaboration in priority areas, which will help to increase and diversify research output and improve research impact. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
50. Developing a Drug Screening Platform: MALDI-Mass Spectrometry Imaging of Paper-Based Cultures
- Author
-
Amanda B. Hummon, Gabriel J. LaBonia, Julie C. McIntosh, Matthew R. Lockett, Matthew W. Boyce, and Fernando Tobias
- Subjects
Paper ,Drug ,Matrigel ,Chemistry ,Drug discovery ,media_common.quotation_subject ,010401 analytical chemistry ,Cell Culture Techniques ,Drug Evaluation, Preclinical ,Antineoplastic Agents ,Computational biology ,Paper based ,HCT116 Cells ,010402 general chemistry ,Mass spectrometry ,01 natural sciences ,Article ,Mass spectrometry imaging ,0104 chemical sciences ,Analytical Chemistry ,Matrix-assisted laser desorption/ionization ,In vivo ,Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization ,Humans ,media_common - Abstract
Many potential chemotherapeutics fail to reach patients. One of the key reasons is that compounds are tested during the drug discovery stage in two-dimensional (2D) cell cultures, which are often unable to accurately model in vivo outcomes. Three-dimensional (3D) in vitro tumor models are more predictive of chemotherapeutic effectiveness than 2D cultures, and thus, their implementation during the drug screening stage has the potential to more accurately evaluate compounds earlier, saving both time and money. Paper-based cultures (PBCs) are an emerging 3D culture platform in which cells suspended in Matrigel are seeded into paper scaffolds and cultured to generate a tissue-like environment. In this study, we demonstrate the potential of matrix-assisted laser desorption/ionization-mass spectrometry imaging with PBCs (MALDI-MSI-PBC) as a drug screening platform. This method discriminated regions of the PBCs with and without cells and/or drugs, indicating that coupling PBCs with MALDI-MSI has the potential to develop rapid, large-scale, and parallel mass spectrometric drug screens.
- Published
- 2019
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.