22 results on '"Murugan, N."'
Search Results
2. Experimental Investigation of the Behavior of Tubular T-Joint of Jacket Structures
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Murugan, N., Kaliveeran, Vadivuchezhian, Kundapura, Subrahmanya, Ghosh, Arindam, Series Editor, Chua, Daniel, Series Editor, de Souza, Flavio Leandro, Series Editor, Aktas, Oral Cenk, Series Editor, Han, Yafang, Series Editor, Gong, Jianghong, Series Editor, Jawaid, Mohammad, Series Editor, Velmurugan, R., editor, Balaganesan, G., editor, Kakur, Naresh, editor, and Kanny, Krishnan, editor
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- 2024
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3. Co-localization and co-expression of Olfml3 with Iba1 in brain of mice
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Yadav, Himanshi, Bakshi, Amrita, Anamika, Singh, Vishal, Paul, Prateek, Murugan, N. Arul, and Maurya, Shashank Kumar
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- 2024
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4. Enhanced mechanical and tribological properties of ultrasonically assisted stir-cast AA7075 metal matrix composites in challenging corrosive environments
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Murugan N, Jayakumar K S, Ashok Raj R, and Antony Prabu D
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AA7075 ,WC ,stir casting ,NaCl ,mechanical properties ,tribological properties ,Materials of engineering and construction. Mechanics of materials ,TA401-492 ,Chemical technology ,TP1-1185 - Abstract
Aluminum-based metal matrix composites (AMMCs) find extensive applications in aerospace, defence, automotive, and various sectors on account of remarkable mechanical properties, lightweight nature, and excellent dimensional stability. In this research, AA7075 matrix material was reinforced with tungsten carbide ceramic particles with various 0, 5, 10, 15 and 20 weight percentages (wt%) with the use of Ultrasonic assisted stir casing setup. The stir casted AA7075 MMCs were subjected to XRD, SEM, and density test to investigate the presence of elements, microstructure and density. The tensile, micro hardness, and wear test were performed on AL7075 based MMCs after conducting NaCl based spray test at the condition of spray pressure of 1.2 kg cm ^−2 , spray duration of 120 h and PH value of 8.2 to determine the wear resistance, micro hardness and Ultimate Tensile Strength. The XRD test confirmed the presence of secondary phases such as Al _2 Cu, W _2 C, and MgZn _2 with Al and WC phases. The SEM test confirmed the uniform dispersion and no more cluster formation upto 15 wt% WC addition and agglomeration of WC was occurred in the addition of 20 wt% of WC. The enhancing of wt% of WC improved the corrosion resistance, Micro hardness, UTS, wear and up to 15 wt% addition and decreases by the 20 wt% WC addition. The higher tensile strength 312 MPa was obtained from AA7075/15 wt%WC composite. The lower wear rate 0.11 mg m ^−1 was obtained from AA7075/15 wt%WC at 1000 m sliding distance with 1.2 m s ^−1 sliding velocity. The improved mechanical and tribological properties were mainly depended on strengthening mechanisms such as load transfer mechanism and dislocation strengthening mechanism.
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- 2024
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5. Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal
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Priyadarsinee, Lipsa, primary, Jamir, Esther, additional, Nagamani, Selvaraman, additional, Mahanta, Hridoy Jyoti, additional, Kumar, Nandan, additional, John, Lijo, additional, Sarma, Himakshi, additional, Kumar, Asheesh, additional, Gaur, Anamika Singh, additional, Sahoo, Rosaleen, additional, Vaikundamani, S., additional, Murugan, N. Arul, additional, Priyakumar, U. Deva, additional, Raghava, G. P. S., additional, Bharatam, Prasad V., additional, Parthasarathi, Ramakrishnan, additional, Subramanian, V., additional, Sastry, G. Madhavi, additional, and Sastry, G. Narahari, additional
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- 2024
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6. Role of Amyloidogenic and Non‐Amyloidogenic Protein Spaces in Neurodegenerative Diseases and their Mitigation Using Theranostic Agents.
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Suri, Kapali, Ramesh, Madhu, Bhandari, Mansi, Gupta, Vishakha, Kumar, Virendra, Govindaraju, Thimmaiah, and Murugan, N. Arul
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- 2024
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7. NIR-I emissive cyanine derived molecular probe for selective monitoring of hepatic albumin levels during hyperglycemia.
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Biswas, Bidisha, Dogra, Surbhi, Sen, Aniket, Murugan, N. Arul, Dhingra, Pooja, Jaswal, Kajal, Mondal, Prosenjit, and Ghosh, Subrata
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In this study, we report a small molecule optical marker BI-CyG derived from the structural engineering of a cyanine scaffold. The developed probe offers suitable advantages over existing cyanine-based albumin specific probes in terms of its excitation and emission wavelengths, which are 760 and 830-832 nm, respectively. Structural tuning of the cyanine architecture leading to extended π-conjugation and resulting in a suitable bathochromic shift in the emission wavelength of the probe is represented in this study. The probe besides emitting in the NIR region, also possesses the desirable characteristics of being a potential target selective optical marker, as established from various biophysical studies. Molecular modelling and simulation studies provided critical insights into the binding of the probe in the protein microenvironment, which was further supported by experimental studies. The probe displayed intracellular albumin selectivity and was utilized for demonstrating alteration in albumin levels in pathological states such as hyperglycemia in hepatic cells. The present study also sheds some light on using BI-CyG as an imaging probe and on the role of metformin as a suitable drug for balancing hyperglycemia-induced reduced intra-hepatic albumin levels. The study, thus, attempts to highlight the structural derivatization of cyanine to afford a potential probe for serum albumin and its deployment to image altering albumin levels in an induced pathological condition, hyperglycemia. [ABSTRACT FROM AUTHOR]
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- 2024
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8. A study of metabolic profile among non obese and obese subjects with non alcoholic fatty liver disease (NAFLD) and assessing the underlying liver steatosis and fibrosis using fibroscan
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Kannan, Deepak, Piramanayagam, P., and Murugan, N.
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- 2024
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9. Cyclic Dipeptide-Based Ambidextrous Supergelators: Minimalistic Rational Design, Structure-Gelation Studies, and In Situ Hydrogelation
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Manchineella, Shivaprasad, Murugan, N. Arul, and Govindaraju, Thimmaiah
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Ambidextrous supergelators are developed through structure-gelation screening of rationally designed cyclic dipeptides (CDPs). The organo- and hydrogels of CDPs were thoroughly characterized by their minimal gelation concentration (MGC) for organic and aqueous solvents, thermal stability (Tg), and viscoelastic properties. Intermolecular hydrogen bonding, the major driving force for gelation was evaluated using temperature-dependent nuclear magnetic resonance (NMR) spectroscopy. The contribution of attractive van der Waals interaction of tBoc group in driving CDP gelation was ascertained using β-cyclodextrin (β-CD)-adamantane carboxylic acid (AC)-based host–guest gelation and 1H NMR studies. The self-assembled fibrous network of CDPs in organic and aqueous solvents responsible for the molecular gelation was elucidated using field emission scanning electron microscopy (FESEM) analysis. Among the CDPs studied CDP-2 found to be supergelator with MGC of 0.3 wt % and form in situ hydrogels under simulated physiological conditions. The in situ gelation property was evaluated by the incorporation of curcumin, as a model study to demonstrate the drug delivery application. Furthermore, supergelator CDP-2 was found to exhibit in cellulo cytocompatibility. Moreover, density functional theory (DFT) calculations were carried out to propose the microscopic structure for the self-assembly of CDP compounds and intermolecular N–H···O hydrogen bonding interactions appear to stabilize the fibrous network. The hydrophobic interactions among the tert-butyloxycarbonyl (tBoc) groups and π–π stacking interactions between phenyl rings contribute to the further stabilization of self-assembled 2D fibrous networks of CDPs. Overall, the present study highlights the in situ gelation property of CDP-based supergelators and their potential for biomedical and regenerative medicine applications.
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- 2024
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10. Interface Engineering of Network-Like 1D/2D (NHCNT/Ni─MOF) Hybrid Nanoarchitecture for Electrocatalytic Water Splitting.
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Bhosale M, Murugan N, Kim YA, Thangarasu S, and Oh TH
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Here, integrated functional components into a hybrid heterostructure via highly stabilized network-like interconnected electronic nanoarchitecture of 1D N-doped holey-carbon nanotube (NHCNT) with 2D nickel─metal-organic framework (Ni─MOF) nanosheets are developed as high-performance electrocatalyst for overall water splitting. The NHCNT promoting electron transport pathways in electrocatalyst, and formation of holes in nanotubes further enables excellent diffusion of ions for promoting the overall reaction rate. An excellent combination of 1D/2D structure of NHCNT/Ni─MOF-4 electrocatalyst exhibits excellent oxygen evolution reaction (η
10 = 207.8 mV, and Tafel = 62.6 mV dec-1 ) and reasonable hydrogen evolution reaction (η10 = 159.8 mV, and Tafel = 107.69 mV dec-1 ) activity with consistent and stable performance in a 1 m KOH. The highly interconnected network structure contains Ni2+ and Ni3+ species in the NHCNT/Ni─MOF-4 electrocatalyst, which possesses high specific surface area (SSA) (235.53 m2 g-1 ), electrochemically active surface area (ECSA) (796.2 cm2 ), mass activity (4.76 mA mg-1 ), and turnover frequency (3.99 × 10-2 s-1 ), which provide remarkable electrocatalytic performance via generating synergy between the NHCNT and Ni─MOF. For overall water splitting, NHCNT/Ni─MOF-4 attains a low cell voltage (1.77 V@10 mA cm-2 )., (© 2024 Wiley‐VCH GmbH.)- Published
- 2024
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11. Surface engineered metal-organic framework-based electrochemical biosensors for enzyme-mimic ultrasensitive detection of glucose: recent advancements and future perspectives.
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Arivazhagan M, Pavadai R, Murugan N, and Jakmunee J
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- Humans, Blood Glucose analysis, Surface Properties, Biosensing Techniques methods, Metal-Organic Frameworks chemistry, Electrochemical Techniques methods, Glucose analysis
- Abstract
Metal-Organic Frameworks (MOFs) have garnered significant attention in the development of electrochemical glucose sensors due to their unique and advantageous properties. The highly tunable pore channels of MOFs facilitate optimal diffusion of glucose molecules, while their large specific surface area provides abundant active sites for electrochemical reactions. Furthermore, the well-dispersed metallic active sites within MOFs enhance electrocatalytic activity, thereby improving the sensitivity and selectivity of glucose detection. These features make MOF-based nanoarchitectures promising candidates for the development of efficient and sensitive glucose sensors, which are crucial for diabetes management and monitoring. The integration of enzymatic biosensors with nanotechnology continues to drive advancements in glucose monitoring, offering the potential for more accurate, convenient, and user-friendly tools for diabetes management. Current research explores non-invasive glucose monitoring methods, such as using sweat, saliva, or interstitial fluid instead of blood, aiming to reduce the discomfort and inconvenience associated with frequent blood sampling. A review of the advancements and applications of MOF-based enzyme-mimic electrochemical sensors for glucose monitoring can provide valuable insights for young researchers, inspiring future research in biomedical device fabrication. Such reviews not only offer a comprehensive understanding of the current state of the art but also highlight existing challenges and future opportunities in the field of enzyme-less glucose sensing, particularly in the surface modification techniques of highly porous MOFs. This fosters innovation and new research directions. By understanding the advantages, challenges, and opportunities, researchers can contribute to the development of more effective and innovative enzyme-mimic glucose sensing transducers, which are essential for advancing biomedical devices.
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- 2024
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12. Synthesis and surface engineering of Ag chalcogenide quantum dots for near-infrared biophotonic applications.
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Arumugasamy SK, Chellasamy G, Murugan N, Govindaraju S, Yun K, and Choi MJ
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- Humans, Infrared Rays, Biosensing Techniques methods, Animals, Quantum Dots chemistry, Silver chemistry, Surface Properties, Chalcogens chemistry
- Abstract
Quantum dots (QDs), a novel category of semiconductor materials, exhibit extraordinary capabilities in tuning optical characteristics. Their emergence in biophotonics has been noteworthy, particularly in bio-imaging, biosensing, and theranostics applications. Although conventional QDs such as PbS, CdSe, CdS, and HgTe have garnered attention for their promising features, the presence of heavy metals in these QDs poses significant challenges for biological use. To address these concerns, the development of Ag chalcogenide QDs has gained prominence owing to their near-infrared emission and exceptionally low toxicity, rendering them suitable for biological applications. This review explores recent advancements in Ag chalcogenide QDs, focusing on their synthesis methodologies, surface chemistry modifications, and wide-ranging applications in biomedicine. Additionally, it identifies future directions in material science, highlighting the potential of these innovative QDs in revolutionizing the field., Competing Interests: Declaration of competing interest The authors declare no conflict of interest., (Copyright © 2023. Published by Elsevier B.V.)
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- 2024
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13. The silent surge of Hepatitis C infection among pregnant individuals with substance use disorder.
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Umer A, Murugan N, Breyel J, and Lilly C
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- Humans, Pregnancy, Female, Adult, United States epidemiology, Pregnancy Complications, Infectious epidemiology, Pregnancy Complications, Infectious diagnosis, Substance-Related Disorders epidemiology, Hepatitis C epidemiology, Hepatitis C diagnosis
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- 2024
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14. Identification, prioritization, and evaluation of RlpA protein as a target against multidrug-resistant Pseudomonas aeruginosa.
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Gatasheh MK, Murugan N, Krishnamoorthy R, Alshuniaber MA, Malathi J, Umashankar V, Ramalingam G, Veeraraghavan VP, and Jayaraman S
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- Bacterial Proteins genetics, Bacterial Proteins metabolism, Humans, Lipoproteins pharmacology, Lipoproteins genetics, Lipoproteins chemistry, Pseudomonas Infections drug therapy, Pseudomonas Infections microbiology, Pseudomonas aeruginosa drug effects, Drug Resistance, Multiple, Bacterial, Molecular Docking Simulation, Anti-Bacterial Agents pharmacology, Anti-Bacterial Agents chemistry, Microbial Sensitivity Tests
- Abstract
According to the World Health Organization, infectious diseases, particularly those caused by multidrug-resistant bacteria (MDR), are projected to claim the lives of 15 million people by 2050. Septicemia carries a higher morbidity and mortality rate than infections caused by susceptible Pseudomonas aeruginosa, and MDR-mediated ocular infections can lead to impaired vision and blindness. To identify and develop a potential drug against MDR P. aeruginosa, we employed in silico reverse genetics-based target mining, drug prioritization, and evaluation. Rare Lipoprotein A (RlpA) was selected as the target protein, and its crystal structure was geometrically optimized. Molecular docking and virtual screening analyses revealed that RlpA exhibits strong binding affinity with 11 compounds. Among these, 3-chlorophthalic acid was evaluated, and subsequent in vitro assays demonstrated significant anti-Pseudomonas activity with negligible cytotoxicity. The compound was further evaluated against both drug-susceptible and MDR P. aeruginosa strains in vitro, with cytotoxicity assessed using an MTT assay. The study demonstrated that 3-chlorophthalic acid exhibits potent anti-Pseudomonas activity with minimal toxicity to host cells. Consequently, this compound emerges as a promising candidate against MDR P. aeruginosa, warranting further investigation., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)
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- 2024
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15. Unveiling the ocular battlefield: Insights into Pseudomonas aeruginosa virulence factors and their implications for multidrug resistance.
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Murugan N, Krishnamoorthy R, Khan JM, Gatasheh MK, Malathi J, Madhavan HNR, Ramalingam G, and Jayaramana S
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- Humans, Bacterial Proteins genetics, Bacterial Proteins metabolism, Pseudomonas Infections microbiology, Drug Resistance, Multiple, Bacterial genetics, Type C Phospholipases genetics, Type C Phospholipases metabolism, Endopeptidases, Pseudomonas aeruginosa pathogenicity, Pseudomonas aeruginosa genetics, Virulence Factors genetics, Virulence Factors metabolism, Biofilms growth & development
- Abstract
The research investigates the virulence factors of Pseudomonas aeruginosa (P. aeruginosa), a pathogen known for its ability to cause human infections by releasing various exoenzymes and virulence factors. Particularly relevant in ocular infections, where tissue degeneration can occur, even after bacterial growth has ceased due to the potential role of secreted proteins/enzymes. Clinical isolates of P. aeruginosa, both ocular (146) and non-ocular (54), were examined to determine the frequency and mechanism of virulence factors. Phenotypic characterization revealed the production of alginate, biofilm, phospholipase C, and alkaline protease, while genotypic testing using internal uniplex PCR identified the presence of Exo U, S, T, Y, and LasB genes. Results showed a significant prevalence of Exo U and Y genes in ocular isolates, a finding unique to Indian studies. Additionally, the study noted that ocular isolates often contained all four secretomes, suggesting a potential link between these factors and ocular infections. These findings contribute to understanding the pathogenesis of P. aeruginosa infections, particularly in ocular contexts, and highlights the importance of comprehensive virulence factor analysis in clinical settings., Competing Interests: Declaration of competing interest The authors declare no conflict of interest., (Copyright © 2024. Published by Elsevier B.V.)
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- 2024
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16. Affinity fine-tuning anti-CAIX CAR-T cells mitigate on-target off-tumor side effects.
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Wang Y, Buck A, Piel B, Zerefa L, Murugan N, Coherd CD, Miklosi AG, Johal H, Bastos RN, Huang K, Ficial M, Laimon YN, Signoretti S, Zhong Z, Hoang SM, Kastrunes GM, Grimaud M, Fayed A, Yuan HC, Nguyen QD, Thai T, Ivanova EV, Paweletz CP, Wu MR, Choueiri TK, Wee JO, Freeman GJ, Barbie DA, and Marasco WA
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- Animals, Mice, Humans, Carbonic Anhydrase IX genetics, Antigens, Neoplasm, Antibodies, T-Lymphocytes metabolism, Carcinoma, Renal Cell metabolism, Kidney Neoplasms pathology, Receptors, Chimeric Antigen genetics, Carbonic Anhydrases metabolism, Carbonic Anhydrases therapeutic use
- Abstract
One of the major hurdles that has hindered the success of chimeric antigen receptor (CAR) T cell therapies against solid tumors is on-target off-tumor (OTOT) toxicity due to sharing of the same epitopes on normal tissues. To elevate the safety profile of CAR-T cells, an affinity/avidity fine-tuned CAR was designed enabling CAR-T cell activation only in the presence of a highly expressed tumor associated antigen (TAA) but not when recognizing the same antigen at a physiological level on healthy cells. Using direct stochastic optical reconstruction microscopy (dSTORM) which provides single-molecule resolution, and flow cytometry, we identified high carbonic anhydrase IX (CAIX) density on clear cell renal cell carcinoma (ccRCC) patient samples and low-density expression on healthy bile duct tissues. A Tet-On doxycycline-inducible CAIX expressing cell line was established to mimic various CAIX densities, providing coverage from CAIX-high skrc-59 tumor cells to CAIX-low MMNK-1 cholangiocytes. Assessing the killing of CAR-T cells, we demonstrated that low-affinity/high-avidity fine-tuned G9 CAR-T has a wider therapeutic window compared to high-affinity/high-avidity G250 that was used in the first anti-CAIX CAR-T clinical trial but displayed serious OTOT effects. To assess the therapeutic effect of G9 on patient samples, we generated ccRCC patient derived organotypic tumor spheroid (PDOTS) ex vivo cultures and demonstrated that G9 CAR-T cells exhibited superior efficacy, migration and cytokine release in these miniature tumors. Moreover, in an RCC orthotopic mouse model, G9 CAR-T cells showed enhanced tumor control compared to G250. In summary, G9 has successfully mitigated OTOT side effects and in doing so has made CAIX a druggable immunotherapeutic target., (© 2024. The Author(s).)
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- 2024
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17. Molecular Property Diagnostic Suite for COVID-19 (MPDS COVID-19 ): an open-source disease-specific drug discovery portal.
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Priyadarsinee L, Jamir E, Nagamani S, Mahanta HJ, Kumar N, John L, Sarma H, Kumar A, Gaur AS, Sahoo R, Vaikundamani S, Murugan NA, Priyakumar UD, Raghava GPS, Bharatam PV, Parthasarathi R, Subramanian V, Sastry GM, and Sastry GN
- Abstract
Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS
COVID-19 was developed for COVID-19 as a one-stop solution for drug discovery research. Galaxy platforms enable the creation of customized workflows connecting various modules in the web server. The architecture of MPDSCOVID-19 effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDSCOVID-19 provides significant updates and the addition of several new tools updated after six years. Tools developed by our group in Perl/Python and open-source tools are collated and integrated into MPDSCOVID-19 using XML scripts. Our MPDS suite aims to facilitate transparent and open innovation. This approach significantly helps bring inclusiveness in the community while promoting free access and participation in software development., Availability & Implementation: The MPDSCOVID-19 portal can be accessed at https://mpds.neist.res.in:8085/., Competing Interests: The authors declare that they have no competing interests., (© The Author(s) 2024.)- Published
- 2024
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18. Evaluation of the cytotoxicity, antioxidant activity, and molecular docking of biogenic zinc oxide nanoparticles derived from pumpkin seeds.
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Kadir NHA, Murugan N, Khan AA, Sandrasegaran A, Khan AU, and Alam M
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- Humans, Animals, Chlorocebus aethiops, Antioxidants pharmacology, Molecular Docking Simulation, Vero Cells, Plant Extracts pharmacology, Plant Extracts chemistry, Seeds chemistry, Spectroscopy, Fourier Transform Infrared, Anti-Bacterial Agents pharmacology, X-Ray Diffraction, Zinc Oxide pharmacology, Zinc Oxide chemistry, Cucurbita metabolism, Nanoparticles chemistry, Antineoplastic Agents pharmacology, Metal Nanoparticles toxicity, Metal Nanoparticles chemistry
- Abstract
This study aimed to investigate the characterization of zinc oxide nanoparticles (ZnONPs) produced from Cucurbita pepo L. (pumpkin seeds) and their selective cytotoxic effectiveness on human colon cancer cells (HCT 116) and African Green Monkey Kidney, Vero cells. The study also investigated the antioxidant activity of ZnONPs. The study also examined ZnONPs' antioxidant properties. This was motivated by the limited research on the comparative cytotoxic effects of ZnO NPs on normal and HCT116 cells. The ZnO NPs were characterized using Fourier-transform infrared spectroscopy (FTIR), Thermogravimetric Analysis (TGA), Transmission Electron Microscope/Selected Area Electron Diffraction (TEM/SAED), and Scanning Electron Microscope-Energy Dispersive X-ray (SEM-EDX) for determination of chemical fingerprinting, heat stability, size, and morphology of the elements, respectively. Based on the results, ZnO NPs from pumpkins were found to be less than 5 μm and agglomerates in nature. Furthermore, the ZnO NPs fingerprinting and SEM-EDX element analysis were similar to previous literature, suggesting the sample was proven as ZnO NPs. The ZnO NPs also stable at a temperature of 380°C indicating that the green material is quite robust at 60-400°C. The cell viability of Vero cells and HCT 116 cell line were measured at two different time points (24 and 48 h) to assess the cytotoxicity effects of ZnO NP on these cells using AlamarBlue assay. Cytotoxic results have shown that ZnO NPs did not inhibit Vero cells but were slightly toxic to cancer cells, with a dose-response curve IC50 = ~409.7 μg/mL. This green synthesis of ZnO NPs was found to be non-toxic to normal cells but has a slight cytotoxicity effect on HCT 116 cells. A theoretical study used molecular docking to investigate nanoparticle interaction with cyclin-dependent kinase 2 (CDK2), exploring its mechanism in inhibiting CDK2's role in cancer. Further study should be carried out to determine suitable concentrations for cytotoxicity studies. Additionally, DPPH has a significant antioxidant capacity, with an IC50 of 142.857 μg/mL. RESEARCH HIGHLIGHTS: Pumpkin seed extracts facilitated a rapid, high-yielding, and environmentally friendly synthesis of ZnO nanoparticles. Spectrophotometric analysis was used to investigate the optical properties, scalability, size, shape, dispersity, and stability of ZnO NPs. The cytotoxicity of ZnO NPs on Vero and HCT 116 cells was assessed, showing no inhibition of Vero cells and cytotoxicity of cancer cells. The DPPH assay was also used to investigate the antioxidant potential of biogenic nanoparticles. A molecular docking study was performed to investigate the interaction of ZnO NPs with CDK2 and to explore the mechanism by which they inhibit CDK2's role in cancer., (© 2023 Wiley Periodicals LLC.)
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- 2024
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19. Insights into the conformational, secondary structural, dynamical and hydration pattern changes of glucose mediated glycated HSA: a molecular dynamics approach.
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Jeevanandam J, Murugan NA, and Saraswathi NT
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The robust structural nature of human serum albumin (HSA) is responsible for its multifarious functional property. The site specific glycation of HSA due to hyperglycaemia (excess glucose) causes structural changes which have an impact on the functioning of the protein. This work investigates the effects of glucose-mediated glycation in the altered inter-domain motion, distorted binding site conformation and modified hydration patterns, Trp214 orientation, and secondary structure transition using simulation approach. Here we have observed an increase of turns in the helices of glycated HSA, which modulates the open-close conformation of Sudlow I & II. The secondary structure changes of glycated HSA indicate plausible reduction in the alpha helical content in the helices which participates in ligand binding. It also affects geometrical features of drug binding sites (Sudlow I and II) such as volume and hydration. We found that glycation disturbs domain specific mobility patterns of HSA, a substantial feature for albumin drug binding ability which is also correlated with changes in the local environment of Trp214.Communicated by Ramaswamy H. Sarma.
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- 2024
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20. Evolution of cell therapy for renal cell carcinoma.
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Wang Y, Suarez ER, Kastrunes G, de Campos NSP, Abbas R, Pivetta RS, Murugan N, Chalbatani GM, D'Andrea V, and Marasco WA
- Subjects
- Humans, Immunotherapy, Cell- and Tissue-Based Therapy, Combined Modality Therapy, Carcinoma, Renal Cell therapy, Kidney Neoplasms therapy
- Abstract
Treatment for renal cell carcinoma (RCC) has improved dramatically over the last decade, shifting from high-dose cytokine therapy in combination with surgical resection of tumors to targeted therapy, immunotherapy, and combination therapies. However, curative treatment, particularly for advanced-stage disease, remains rare. Cell therapy as a "living drug" has achieved hematological malignancy cures with a high response rate, and significant research efforts have been made to facilitate its translation to solid tumors. Herein, we overview the cellular therapies for RCC focusing on allogeneic hematopoietic stem cell transplantation, T cell receptor gene-modified T cells, chimeric antigen receptor (CAR) T cells, CAR natural killer (NK) cells, lymphokine-activated killer (LAK) cells, γδ T cells, and dendritic cell vaccination. We have also included perspectives for using other recent approaches, such as CAR macrophages, dendritic cell-cytokine induced killer cells and regulatory CAR-T cells to shed light on preclinical development of cell therapy and advancing cell therapy into clinic to achieve cures for RCC., (© 2024. The Author(s).)
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- 2024
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21. Unlocking The Mysteries of DNA Adducts with Artificial Intelligence.
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Arora S, Satija S, Mittal A, Solanki S, Mohanty SK, Srivastava V, Sengupta D, Rout D, Arul Murugan N, Borkar RM, and Ahuja G
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- Artificial Intelligence, Mutagens, DNA genetics, DNA Adducts, Ecosystem
- Abstract
Cellular genome is considered a dynamic blueprint of a cell since it encodes genetic information that gets temporally altered due to various endogenous and exogenous insults. Largely, the extent of genomic dynamicity is controlled by the trade-off between DNA repair processes and the genotoxic potential of the causative agent (genotoxins or potential carcinogens). A subset of genotoxins form DNA adducts by covalently binding to the cellular DNA, triggering structural or functional changes that lead to significant alterations in cellular processes via genetic (e. g., mutations) or non-genetic (e. g., epigenome) routes. Identification, quantification, and characterization of DNA adducts are indispensable for their comprehensive understanding and could expedite the ongoing efforts in predicting carcinogenicity and their mode of action. In this review, we elaborate on using Artificial Intelligence (AI)-based modeling in adducts biology and present multiple computational strategies to gain advancements in decoding DNA adducts. The proposed AI-based strategies encompass predictive modeling for adduct formation via metabolic activation, novel adducts' identification, prediction of biochemical routes for adduct formation, adducts' half-life predictions within biological ecosystems, and, establishing methods to predict the link between adducts chemistry and its location within the genomic DNA. In summary, we discuss some futuristic AI-based approaches in DNA adduct biology., (© 2023 Wiley-VCH GmbH.)
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- 2024
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22. Is Aspartate Aminotransferase to Platelet Ratio Index a Better Noninvasive Score for Predicting Advanced Fibrosis in Nonalcoholic Fatty Liver Disease Patients?
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Bhayani PD, Parameswaran SA, Palaniswamy KR, Piramanayagam P, and Murugan N
- Abstract
Background: In the 21st century, nonalcoholic fatty liver disease (NAFLD) is the most prevalent liver disorder. The prevalence of NAFLD within the general population in India ranges from 9 to 53%. The gold standard for assessing the severity of liver fibrosis is liver biopsy. However, due to various difficulties involved with liver biopsy, it is imperative to identify different non-invasive tools that can replace liver biopsy., Methodology: A prospective observational study of 130 patients meeting the inclusion criteria for NAFLD was done for a period of 18 months. We aimed to compare the performance characteristics of different noninvasive scores [fibrosis-4 (FIB-4) score, nonalcoholic fatty liver disease fibrosis score (NFS), and aspartate aminotransferase to platelet ratio index (APRI)] in predicting advanced fibrosis as assessed by FibroScan., Results: In the study, 76.9% of patients were male. Advanced fibrosis was seen in 12.3% of the patients. Majority of the patients with advanced fibrosis had metabolic syndrome. Based on the area under the receiver operating characteristic curve (AUROC), the new cut-off for ruling out advanced fibrosis for FIB-4, NFS, and APRI were 1.18, -0.9, and 0.65, respectively, and APRI had the best AUROC (0.768)., Conclusion: Abnormal glycemic status and metabolic syndrome were risk factors for advanced fibrosis. The newly derived cut-offs for the FIB-4 score, NFS score, and APRI score had a better Negative predictive value compared to the original cut-offs., How to Cite This Article: Bhayani PD, Parameswaran SA, Palaniswamy KR, et al. Is Aspartate Aminotransferase to Platelet Ratio Index a Better Noninvasive Score for Predicting Advanced Fibrosis in Nonalcoholic Fatty Liver Disease Patients? Euroasian J Hepato-Gastroenterol 2024;14(1):35-39., Competing Interests: Source of support: Nil Conflict of interest: None, (Copyright © 2024; The Author(s).)
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- 2024
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