19 results on '"Dawood HM"'
Search Results
2. Seismic behavior of posttensioned concrete-filled fiber tubes
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ElGawady, Mohamed, ElGawady, Mohamed, Booker, AJ, Dawood, HM, ElGawady, Mohamed, ElGawady, Mohamed, Booker, AJ, and Dawood, HM
Catalog
3. Lateral performance of precast post-tensioned concrete filled fiber tubes
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ElGawady, Mohamed, ElGawady, Mohamed, Dawood, HM, ElGawady, Mohamed, ElGawady, Mohamed, and Dawood, HM
- Abstract
Recently a new construction system consisted of segmental precast posttensioned concrete filled fiber tubes (PPT-CFFT) was developed at Washington State University. Both single-column and two-column bridge-bents were subjected to cyclic loads. The tests showed that the PPT-CFFT can safely and effectively resist lateral cyclic forces. This paper discusses finite element modeling and analysis of the developed system. Three dimensional nonlinear finite element analyses using Abaqus\Standard have been performed. A stressstrain relationship for confined concrete was used to model the concrete. The post-tensioning tendons were modeled with beam elements. The model was calibrated against cyclic tests on single-column pier. The model was able to capture the general performance of the column. However, careful consideration must be taken when selecting the type of the contact surface between the core concrete and FRP as well as between the core concrete and the foundation. The results indicated that increasing the applied post-tensioning force increases ultimate strength and decreases ultimate displacement. Additionally, for the same post-tensioning force, increasing the rebar cross sectional area increased the postelastic stiffness and ultimate strength without affecting the ultimate displacement. more...
4. Seismic behavior of segmented bents
- Author
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ElGawady, Mohamed, ElGawady, Mohamed, Sha'lan, A, Dawood, HM, ElGawady, Mohamed, ElGawady, Mohamed, Sha'lan, A, and Dawood, HM
- Abstract
Precast segmental construction technique is an excellent candidate for economic rapid bridge construction in highly congested urban environments and environmentally sensitive regions. This paper presents the seismic behavior of four hybrid frames. Each column of these frames consisted of post-tensioned precast concrete filled fiber reinforced polymer tubes (PPT-CFFT). A fifth monolithic frame was also tested as a reference specimen. The frames were tested under increasing lateral loading cycles in a displacement control. A typical test frame was approximately 60 in. tall and 82 in. wide. The beam was nominally 8 in. wide by 15 in. deep. The columns cross section diameters was 8 in. parameters investigated included different construction details and energy dissipation systems. The PPT-CFFT frames developed lateral strength and deformation capacity higher than those of the monolithic reinforced concrete frame. However, the hysteretic response of the tests specimens showed that, PPT-CFFT specimens dissipated smaller hysteretic energy compared to that of the monolithic reinforced concrete frame. more...
5. Seismic behavior of posttensioned concrete-filled fiber tubes
- Author
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ElGawady, Mohamed, Booker, AJ, and Dawood, HM
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Bridges ,Columns ,Connections ,Cyclic ,Ductility ,FRP tubes ,Segmented ,Seismic - Published
- 2010
6. Lateral performance of precast post-tensioned concrete filled fiber tubes
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9th US National and 10th Canadian Conference on Earthquake Engineering 2010, Including Papers from the 4th International Tsunami Symposium Toronto, Ontario, Canada 25-29 July 2010, ElGawady, Mohamed, and Dawood, HM more...
- Abstract
Recently a new construction system consisted of segmental precast posttensioned concrete filled fiber tubes (PPT-CFFT) was developed at Washington State University. Both single-column and two-column bridge-bents were subjected to cyclic loads. The tests showed that the PPT-CFFT can safely and effectively resist lateral cyclic forces. This paper discusses finite element modeling and analysis of the developed system. Three dimensional nonlinear finite element analyses using Abaqus/Standard have been performed. A stressstrain relationship for confined concrete was used to model the concrete. The post-tensioning tendons were modeled with beam elements. The model was calibrated against cyclic tests on single-column pier. The model was able to capture the general performance of the column. However, careful consideration must be taken when selecting the type of the contact surface between the core concrete and FRP as well as between the core concrete and the foundation. The results indicated that increasing the applied post-tensioning force increases ultimate strength and decreases ultimate displacement. Additionally, for the same post-tensioning force, increasing the rebar cross sectional area increased the postelastic stiffness and ultimate strength without affecting the ultimate displacement. Refereed/Peer-reviewed more...
- Published
- 2010
7. Seismic behavior of segmented bents
- Author
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9th US National and 10th Canadian Conference on Earthquake Engineering 2010, Including Papers from the 4th International Tsunami Symposium Toronto, Ontario, Canada 25-29 July 2010, ElGawady, Mohamed, Sha'lan, A, and Dawood, HM more...
- Abstract
Precast segmental construction technique is an excellent candidate for economic rapid bridge construction in highly congested urban environments and environmentally sensitive regions. This paper presents the seismic behavior of four hybrid frames. Each column of these frames consisted of post-tensioned precast concrete filled fiber reinforced polymer tubes (PPT-CFFT). A fifth monolithic frame was also tested as a reference specimen. The frames were tested under increasing lateral loading cycles in a displacement control. A typical test frame was approximately 60 in. tall and 82 in. wide. The beam was nominally 8 in. wide by 15 in. deep. The columns cross section diameters was 8 in. parameters investigated included different construction details and energy dissipation systems. The PPT-CFFT frames developed lateral strength and deformation capacity higher than those of the monolithic reinforced concrete frame. However, the hysteretic response of the tests specimens showed that, PPT-CFFT specimens dissipated smaller hysteretic energy compared to that of the monolithic reinforced concrete frame. Refereed/Peer-reviewed more...
- Published
- 2010
8. Molecular mechanisms of phytoconstituents from selected Egyptian plants against non-small cell lung cancer using integrated in vitro network pharmacology and molecular docking approach.
- Author
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Shaala LA, Youssef DTA, Ramadan MA, Khalifa AA, Ibrahim RS, Valeriote F, Celik I, and Dawood HM
- Abstract
Non-small cell lung cancer (NSCLC) is a widespread highly malignant type of lung cancer. Conventional chemotherapeutic drugs may be accompanied by both drug resistance and serious side effects in patients. Therefore, safer and more effective medications are urgently needed for the treatment of NSCLC. This study investigates the mode of action of 21 phytoconstituents previously isolated from the Amaryllidaceous plants Crinum bulbispermum (Burm.f.), Pancratium maritimum L., and Hippeastrum vittatum Herbert alongside the Asteraceous plant Centaurea scoparia Sieb. for therapy of NSCLC via in vitro cytotoxic, network pharmacology, and molecular docking analyses. Despite the in vitro and in vivo cytotoxic studies carried out on phytoconstituents from these plants in treating numerous cancer types, scarce information documenting their cytotoxic activity towards NSCLC cells is available. First, the compounds were tested for their in vitro cytotoxic activities and selectivity on human non-small cell lung cancer cells using disk diffusion assay. Compounds having significant potencies were promoted for network pharmacology analysis. Pharm mapper, Genecards, STRING, and KEGG databases were utilized for surfing target genes and pathways for these compounds, while for construction of compound-target-pathway (C-T-P) network, Cytoscape 3.7.1. freeware was used. Molecular docking and dynamics simulation were run for the top hit constituents against the most enriched molecular targets followed by in silico ADMET studies using Schrodinger
® suite and Gromacs. In vitro cytotoxicity testing demonstrated that crinamine was the most potent compound followed by lycorine, hemanthidine, and haemanthamine. The network pharmacology approach revealed the enrichment of acetyllycoramine, pluviine, 5-hydroxy-7-methoxy-2-methylchromone, and ismine. Whereas, androgen receptor (AR), epidermal growth factor receptor (EGFR), and estrogen-sensitive receptor alpha (ESR1) were the most enriched target genes. Pathway analysis revealed that central carbon metabolism, EGFR tyrosine kinase inhibitor endocrine resistance, and non-small cell lung cancer were the most enriched cancer-related pathways. Ismine possessed the most stable ligand-protein interactions when docked to the three proteins, with MD simulations further confirming its strong and consistent binding to AR, moderate stability with ESR-1, and lower stability with EGFR over the 100 ns trajectory. ADMET study conducted on the above compounds confirmed their excellent drug-likeness properties, oral bioavailability, and safety profiles highlighting the need for some structural modifications to pluviine to enhance its oral bioavailability. These integrated approaches showed that some constituents from the investigated plants interact synergistically against non-small cell lung cancer-related genes and pathways., Competing Interests: Declarations. Ethics approval and consent to participate: All methods were performed in accordance with the relevant guidelines and regulations. The use of human cell lines was approved by the Ethical Committee of Alexandria University, Alexandria, Egypt (Approval No: 062023720342A). Consent for publication: Not applicable. Competing interests: The authors declare no competing interests., (© 2025. The Author(s).) more...- Published
- 2025
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9. Exploring the ethnopharmacological significance of Cynara scolymus bracts: Integrating metabolomics, in-Vitro cytotoxic studies and network pharmacology for liver and breast anticancer activity assessment.
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El Sohafy SM, Shams Eldin SM, Sallam SM, Bakry R, Nassra RA, and Dawood HM
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- Humans, Female, Cell Line, Tumor, Ethnopharmacology, Cell Survival drug effects, MCF-7 Cells, Metabolomics, Breast Neoplasms drug therapy, Breast Neoplasms metabolism, Plant Extracts pharmacology, Plant Extracts chemistry, Antineoplastic Agents, Phytogenic pharmacology, Cynara scolymus chemistry, Network Pharmacology, Liver Neoplasms drug therapy, Liver Neoplasms metabolism
- Abstract
Ethnopharmacological Relevance: Liver and breast cancers are the most dominant cancer types with high occurrence rates. Artichoke (Cynara scolymus L.) has been reputed for its traditional use in alleviating many liver and gallbladder ailments beside its anticancer activity against various types of cancer cells., Aim of the Study: To demonstrate detailed chemical matrices of the different plant parts and evaluate their cytotoxic activities aiming to unveil the relationship between these activities and the intrinsic metabolites using metabolomic studies, in-vitro experiments and network pharmacology., Materials and Methods: Chemical profiling of extracts from the different plant parts (stems, leaves, bracts and receptacles) was performed using HPLC/QqQ/MS followed by unsupervised chemometric studies. In-vitro cytotoxic potentials of the extracts were evaluated on breast and liver cancer cell line then an OPLS study using linear regression was conducted. Consequently, a network pharmacology analysis on the most bioactive plant organ was applied., Results: Unsupervised chemometric analysis revealed that kaempferol-3-O-α-L-rhamnopyranoside-7-O-β-D-galacturonopyranoside, chrysoeriol-7-rutinoside and 1-caffeoylquinic acid were responsible for the segregation of the bract (CSB) segregated from the rest of the plant organs. Interestingly, CSB extract possessed the highest potential in-vitro cytotoxic activity against both liver and breast cancer cells (IC
50 = 1.65 and 1.77 μg/mL). As expected, the aforementioned biomarkers were observed to be the discriminatory cytotoxic metabolites in the constructed supervised chemometric model. Network pharmacology analysis on CSB revealed 27 liver cancer-related metabolites of which, 1-caffeoylquinic acid was the most enriched one contributing to 13% of the total interactions. Furthermore, 38 target genes were involved, the most enriched of which were Aldo-keto reductase family 1 member B1 (AKR1B10) and interleukin-2 (IL-2). KEGG pathway analysis unveiled 23 significantly related pathways including metabolic pathways that possessed the lowest p-value (1.6E-5)., Conclusion: The findings demonstrated that CSB is a significant source of cytotoxic metabolites against breast cancer and liver cancer cell lines, hence, drawing attention to the pharmaceutical and medicinal value of this negligible plant organ and paving the route for insightful research into its exact pharmacological cytotoxic mechanisms., 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.) more...- Published
- 2024
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10. Insights into bioactive constituents of onion (Allium cepa L.) waste: a comparative metabolomics study enhanced by chemometric tools.
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Elattar MM, Hammoda HM, Ghareeb DA, Abdulmalek SA, Abdelrahim FA, Seif IAK, Dawood HM, and Darwish RS
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- Humans, Plant Roots chemistry, Tandem Mass Spectrometry, Onions chemistry, Plant Extracts pharmacology, Plant Extracts chemistry, Anti-Inflammatory Agents pharmacology, Metabolomics
- Abstract
Background: Onion waste was reported to be a valuable source of bioactive constituents with potential health-promoting benefits. This sparked a surge of interest among scientists for its valorization. This study aims to investigate the chemical profiles of peel and root extracts of four onion cultivars (red, copper-yellow, golden yellow and white onions) and evaluate their erectogenic and anti-inflammatory potentials., Methods: UPLC-QqQ-MS/MS analysis and chemometric tools were utilized to determine the chemical profiles of onion peel and root extracts. The erectogenic potential of the extracts was evaluated using the PDE-5 inhibitory assay, while their anti-inflammatory activity was determined by identifying their downregulating effect on the gene expression of IL-6, IL-1β, IFN-γ, and TNF-α in LPS-stimulated WBCs., Results: A total of 103 metabolites of diverse chemical classes were identified, with the most abundant being flavonoids. The organ's influence on the chemical profiles of the samples outweighed the influence of the cultivar, as evidenced by the close clustering of samples from the same organ compared to the distinct separation of root and peel samples from the same cultivar. Furthermore, the tested extracts demonstrated promising PDE-5 and anti-inflammatory potentials and effectively suppressed the upregulation of pro-inflammatory markers in LPS-stimulated WBCs. The anti-inflammatory activities exerted by peel samples surpassed those of root samples, highlighting the importance of selecting the appropriate organ to maximize activity. The main metabolites correlated with PDE-5 inhibition were cyanidin 3-O-(malonyl-acetyl)-glucoside and quercetin dimer hexoside, while those correlated with IL-1β inhibition were γ-glutamyl-methionine sulfoxide, γ-glutamyl glutamine, sativanone, and stearic acid. Taxifolin, 3'-hydroxymelanettin, and oleic acid were highly correlated with IL-6 downregulation, while quercetin 4'-O-glucoside, isorhamnetin 4'-O-glucoside, and p-coumaroyl glycolic acid showed the highest correlation to IFN-γ and TNF-α inhibition., Conclusion: This study provides a fresh perspective on onion waste as a valuable source of bioactive constituents that could serve as the cornerstone for developing new, effective anti-PDE-5 and anti-inflammatory drug candidates., (© 2024. The Author(s).) more...
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- 2024
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11. An ethnopharmacological, phytochemical, and pharmacological overview of onion (Allium cepa L.).
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Elattar MM, Darwish RS, Hammoda HM, and Dawood HM
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- Humans, Ethnopharmacology, Medicine, Traditional, Plant Extracts therapeutic use, Plant Extracts toxicity, Phytochemicals therapeutic use, Phytochemicals toxicity, Phytotherapy, Onions, Diabetes Mellitus drug therapy
- Abstract
Ethnopharmacological Relevance: Onion (Allium cepa L.) is one of the most widely distributed species within the Allium genus of family Amaryllidaceae. Onion has been esteemed for its medicinal properties since antiquity. It has been consumed for centuries in various indigenous cultures for the management of several ailments including microbial infections, respiratory, gastrointestinal, skin and cardio-vascular disorders, diabetes, renal colic, rheumatism, sexual impotence, menstrual pain, and headache. However, so far, there is a scarcity of recent data that compiles the plant chemistry, traditional practices, biological features, and toxicity., Aim of the Work: The aim of this review is to provide a comprehensive and analytical overview of ethnopharmacological uses, phytochemistry, pharmacology, industrial applications, quality control, and toxicology of onion, to offer new perspectives and broad scopes for future studies., Materials and Methods: The information gathered in this review was obtained from various sources including books, scientific databases such as Science Direct, Wiley, PubMed, Google Scholar, and other domestic and foreign literature., Results: Onion has a long history of use as a traditional medicine for management of various conditions including infectious, inflammatory, respiratory, cardiovascular diseases, diabetes, and erectile dysfunction. More than 400 compounds have been identified in onion including flavonoids, phenolic acids, amino acids, peptides, saponins and fatty acids. The plant extracts and compounds showed various pharmacological activities such as antimicrobial, antidiabetic, anti-inflammatory, anti-hyperlipidemic, anticancer, aphrodisiac, cardioprotective, and neuroprotective activities. In addition to its predominant medicinal uses, onion has found various applications in the functional food industry., Conclusion: Extensive literature analysis reveals that onion extracts and bioactive constituents possess diverse pharmacological activities that can be beneficial for treating various diseases. However, the current research primarily revolves around the documentation of ethnic pharmacology and predominantly consists of in vitro studies, with relatively limited in vivo and clinical studies. Consequently, it is imperative for future investigations to prioritize and expand the scope of in vivo and clinical research. Additionally, it is strongly recommended to direct further research efforts towards toxicity studies and quality control of the plant. These studies will help bridge the current knowledge gaps and establish a solid basis for exploring the plant's potential uses in a clinical setting., Competing Interests: Declaration of competing interest None., (Copyright © 2024 Elsevier B.V. All rights reserved.) more...
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- 2024
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12. Metabolomic insights into the therapeutic mechanisms of costus (Saussurea costus (Falc.) Lipsch.) root extract in propylthiouracil-induced hypothyroidism rat model.
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Dawood HM, Barghouth NM, El-Mezayen NS, Ibrahim RS, and Shawky E
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- Humans, Rats, Animals, Propylthiouracil toxicity, Rats, Sprague-Dawley, Plant Extracts adverse effects, Glycerophospholipids, Arachidonic Acids adverse effects, Saussurea, Costus, Hypothyroidism chemically induced, Hypothyroidism drug therapy
- Abstract
Ethnopharmacological Relevance: Saussurea costus (Falc.) Lipschitz. is one of the most reputed medicinal plants as a traditional medicine in the Arab and Middle East regions in the treatment of thyroid disorders, however, more investigations are needed to fully understand its effectiveness and mechanism of action., Aim of the Study: The primary objective of the study was to assess the impact of Saussurea costus (COST) on the metabolic profiles of propylthiouracil (PTU)-induced hypothyroidism in rats. This involves a comprehensive examination of serum metabolites using UPLC/QqQ-MS analysis aiming to identify differential metabolites, elucidate underlying mechanisms, and evaluate the potential pharmacological effect of COST in restoring metabolic homeostasis., Materials and Methods: Hypothyroidism was induced in female Sprague-Dawley rats by oral administration of propylthiouracil (PTU). UPLC/QqQ MS analysis of serum samples from normal, PTU, and PTU + COST rats was utilized for annotation of intrinsic metabolites with the aid of online Human metabolome database (HMDB) and extensive literature surfing. Multivariate statistical analyses, including orthogonal partial least squares discriminant analysis (OPLS-DA), discerned variations between the different groups. Serum levels of T3, T4 and TSH in addition to arachidonic acid (ARA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA) levels in thyroid gland tissues; Phospholipase A2 group IIA (PLA2G2A), and lipoprotein lipase (LPL) in liver tissues were assessed by specific ELISA kits. Gene expression for key proteins of the primary evolved pathwayswere quantified by one-step qRT-PCR technique. Histopathological evaluation of thyroid gland tissue was performed by an investigator blinded to the experimental group using light microscope., Results: Distinct clustering in multivariate statistical analysis models indicated significant variations in serum chemical profiles among normal, disease, and treated groups. VIP values guided the selection of differential metabolites, revealing significant changes in metabolite concentrations. Subsequent to COST treatment, 43 differential intrinsic metabolites exhibited a notable tendency to revert towards normal levels. Annotated metabolites, such as lysophosphatidylcholine (LPC), L-acetylcarnitine, gamma-glutamylserine, and others, showed differential regulation in response to PTU and subsequent S. costus treatment. Notably, 21 metabolites were associated with polyunsaturated fatty acids (PUFAs) biosynthesis, arachidonic acid (ARA) metabolism, and glycerophospholipid metabolism exhibited significant changes on conducting metabolic pathway analysis., Conclusions: COST improves PTU-induced hypothyroidism by regulating biosynthesis of PUFAs signified by n-3/n-6, ARA and glycerophospholipid metabolism. The study provides us a novel mechanism to explain the improvement of hypothyroidism and associated dyslipidemia by COST, depicts a metabolic profile of hypothyroidism, and gives us another point cut for further exploring the biomarkers and pathogenesis of hypothyroidism., 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.) more...
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- 2024
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13. Under pressure-mechanisms and risk factors for orthodontically induced inflammatory root resorption: a systematic review.
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Dawood HM, Kroeger A, Chavda V, Chapple ILC, and Kebschull M
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- Animals, Humans, Risk Factors, Tooth Movement Techniques adverse effects, Root Resorption etiology, Malocclusion etiology
- Abstract
Background: The application of orthodontic forces causes root resorption of variable severity with potentially severe clinical ramifications., Objective: To systematically review reports on the pathophysiological mechanisms of orthodontically induced inflammatory root resorption (OIIRR) and the associated risk factors based on in vitro, experimental, and in vivo studies., Search Methods: We undertook an electronic search of four databases and a separate hand-search., Selection Criteria: Studies reporting on the effect of orthodontic forces with/without the addition of potential risk factors on OIIRR, including (1) gene expression in in-vitro studies, the incidence root resorption in (2) animal studies, and (3) human studies., Data Collection and Analysis: Potential hits underwent a two-step selection, data extraction, quality assessment, and systematic appraisal performed by duplicate examiners., Results: One hundred and eighteen articles met the eligibility criteria. Studies varied considerably in methodology, reporting of results, and variable risk of bias judgements.In summary, the variable evidence identified supports the notion that the application of orthodontic forces leads to (1) characteristic alterations of molecular expression profiles in vitro, (2) an increased rate of OIIRR in animal models, as well as (3) in human studies. Importantly, the additional presence of risk factors such as malocclusion, previous trauma, and medications like corticosteroids increased the severity of OIIRR, whilst other factors decreased its severity, including oral contraceptives, baicalin, and high caffeine., Conclusions: Based on the systematically reviewed evidence, OIIRR seems to be an inevitable consequence of the application of orthodontic forces-with different risk factors modifying its severity. Our review has identified several molecular mechanisms that can help explain this link between orthodontic forces and OIIRR. Nevertheless, it must be noted that the available eligible literature was in part significantly confounded by bias and was characterized by substantial methodological heterogeneity, suggesting that the results of this systematic review should be interpreted with caution., Registration: PROSPERO (CRD42021243431)., (© The Author(s) 2023. Published by Oxford University Press on behalf of the European Orthodontic Society.) more...
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- 2023
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14. Metabolic profiling of Lantana camara L. using UPLC-MS/MS and revealing its inflammation-related targets using network pharmacology-based and molecular docking analyses.
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El-Banna AA, Darwish RS, Ghareeb DA, Yassin AM, Abdulmalek SA, and Dawood HM
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- Chromatography, High Pressure Liquid, Chromatography, Liquid, Humans, Inflammation drug therapy, Interleukin-2, Molecular Docking Simulation, Network Pharmacology, Phosphatidylinositol 3-Kinases, Tandem Mass Spectrometry, Lantana chemistry, Lantana metabolism, Metabolomics methods, Plant Extracts chemistry, Plant Extracts pharmacology
- Abstract
Lantana camara L. is widely used in folk medicine for alleviation of inflammatory disorders, but studies that proved this folk use and that revealed the molecular mechanism of action in inflammation mitigation are not enough. Therefore, this study aimed to identify L. camara phytoconstituents using UPLC-MS/MS and explain their multi-level mechanism of action in inflammation alleviation using network pharmacology analysis together with molecular docking and in vitro testing. Fifty-seven phytoconstituents were identified in L. camara extract, from which the top hit compounds related to inflammation were ferulic acid, catechin gallate, myricetin and iso-ferulic acid. Whereas the most enriched inflammation related genes were PRKCA, RELA, IL2, MAPK 14 and FOS. Furthermore, the most enriched inflammation-related pathways were PI3K-Akt and MAPK signaling pathways. Molecular docking revealed that catechin gallate possessed the lowest binding energy against PRKCA, RELA and IL2, while myricetin had the most stabilized interaction against MAPK14 and FOS. In vitro cytotoxicity and anti-inflammatory testing indicated that L. camara extract is safer than piroxicam and has a strong anti-inflammatory activity comparable to it. This study is a first step in proving the folk uses of L. camara in palliating inflammatory ailments and institutes the groundwork for future clinical studies., (© 2022. The Author(s).) more...
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- 2022
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15. Chemical profiling and unraveling of anti-COVID-19 biomarkers of red sage (Lantana camara L.) cultivars using UPLC-MS/MS coupled to chemometric analysis, in vitro study and molecular docking.
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Darwish RS, El-Banna AA, Ghareeb DA, El-Hosseny MF, Seadawy MG, and Dawood HM
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- Biomarkers analysis, Chemometrics, Chromatography, High Pressure Liquid, Chromatography, Liquid, Molecular Docking Simulation, Plant Extracts analysis, Plant Extracts pharmacology, Plant Leaves chemistry, SARS-CoV-2, Tandem Mass Spectrometry, Lantana chemistry, COVID-19 Drug Treatment
- Abstract
Ethnopharmacological Relevance: Red sage (Lantana camara L.) (Verbenaceae) is a widely spread plant that was traditionally used in Brazil, India, Kenya, Thailand, Mexico, Nigeria, Australia and Southeast Asia for treating several ailments including rheumatism and leprosy. Despite its historical role in relieving respiratory diseases, limited studies progressed to the plant's probable inhibition to respiratory viruses especially after the striking spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infections., Aim of the Study: This study aimed to investigate the inhibitory activity of different L. camara cultivars to SARS-CoV-2, that was not previously inspected, and clarify their mechanisms of action in the metabolomics viewpoint, and to determine the biomarkers that are related to such activity using UPLC-MS/MS coupled to in vitro-studies and chemometric analysis., Materials and Methods: Chemical profiling of different cultivars was accomplished via UPLC-MS/MS. Principle component analysis (PCA) and orthogonal projection to latent structures (OPLS) models were built using SIMCA® (multivariate data analysis software). Cytotoxicity and COVID-19 inhibitory activity testing were done followed by TaqMan Real-time RT-PCR (Reverse transcription polymerase chain reaction) assay that aimed to study extracts' effects on RNA-dependent RNA polymerase (RdRp) and E-genes expression levels. Detected biomarkers from OPLS analysis were docked into potential targets pockets to investigate their possible interaction patterns using Schrodinger® suite., Results: UPLC-MS/MS analysis of different cultivars yielded 47 metabolites, most of them are triterpenoids and flavonoids. PCA plots revealed that inter-cultivar factor has no pronounced effect on the chemical profiles of extracts except for L. camara, cultivar Drap d'or flowers and leaves extracts as well as for L. camara cv Chelsea gem leaves extract. Among the tested extracts, flowers and leaves extracts of L. camara cv Chelsea gem, flowers extracts of L. camara cv Spreading sunset and L. camara cv Drap d'or showed the highest selectivity indices scoring 12.3, 10.1, 8.6 and 7.8, respectively, indicating their relative high safety and efficacy. Leaves and flowers extracts of L. camara cv Chelsea gem, flowers extracts of L. camara cv Spreading sunset and L. camara cv Drap d'or were the most promising inhibitors to viral plaques exhibiting IC
50 values of 3.18, 3.67, 4.18 and 5.01 μg/mL, respectively. This was incremented by OPLS analysis that related their promising COVID-19 inhibitory activities to the presence of twelve biomarkers. Inhibiting the expression of RdRp gene is the major mechanism behind the antiviral activity of most extracts at almost all concentration levels. Molecular docking of the active biomarkers against RdRp revealed that isoverbascoside, luteolin-7,4'-O-diglucoside, camarolic acid and lantoic acid exhibited higher docking scores of -11.378, -10.64, -6.72 and -6.07 kcal/mol, respectively, when compared to remdesivir (-5.75 kcal/mol), thus these four compounds can serve as promising anti-COVID-19 candidates., Conclusion: Flowers and leaves extracts of four L. camara cultivars were recognized as rich sources of phytoconstituents possessing anti-COVID-19 activity. Combination of UPLC-MS/MS and chemometrics is a promising approach to detect chemical composition differences among the cultivars and correlate them to COVID-19 inhibitory activities allowing to pinpoint possible biomarkers. Further in-vitro and in-vivo studies are required to verify their activity., (Copyright © 2022. Published by Elsevier B.V.) more...- Published
- 2022
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16. Development of a validated HPTLC-bioautographic method for evaluation of aromatase inhibitory activity of plant extracts and their constituents.
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Dawood HM, Shawky E, Hammoda HM, Metwally AM, and Ibrahim RS
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- Aromatase, Chromatography, Thin Layer, Aromatase Inhibitors pharmacology, Plant Extracts pharmacology
- Abstract
Introduction: Aromatase is a CYP450 enzyme that catalyses the conversion of androgens into oestrogens, where the decrease in the production of oestrogens aided by aromatase inhibitors is considered a target in post-menopausal breast cancer therapy. TLC-bioautography is a technique employed for combining chromatographic separations on TLC plates with bioassays. This is the first report to evaluate aromatase inhibitory activity using this technique., Objectives: The aim of this study is to develop and validate a new TLC-bioautographic method for determination of aromatase inhibitory activity in 14 plant extracts. Two quantitation methods, the peak area method and reciprocal iso-inhibition volume (RIV) method, were compared and investigated to attain reliable results. Factors affecting the enzymatic reaction (temperature, pH, enzyme and substrate concentrations … etc.) were also investigated to attain the optimum parameters., Methodology: TLC assisted by digital image processing was implemented for quantitative estimation of the aromatase inhibition of 14 plant extracts using chrysin as positive control. The fluorometric substrate dibenzyl fluorescein (DBF) was utilised for the assay, where inhibitory compounds were visualised as dark spots against a blue fluorescent background. Two software programs, Sorbfil® videodensitometer (in the peak area method) and ImageJ® (in the RIV method), were thoroughly validated using the International Council on Harmonisation (ICH) guideline and used for quantitation., Results: The RIV method showed superiority over the peak area method in the quantitation results of the tracks with non-homogenous background with %RSD values of 0.98 and 1.49 compared with 2.86 and 3.58, respectively. Further, the methods allow the comparison of the activity of different unknown inhibitory compounds without the need for a reference or a positive control., Conclusion: Using the TLC-bioautographic method by image processing combined with the RIV quantitation method, simultaneous separation and quantitation of aromatase inhibitory components could be applied to estimate the relative activity of various plant extracts., (© 2021 John Wiley & Sons, Ltd.) more...
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- 2022
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17. Role of neutrophil to lymphocyte ratio as a prognostic indicator for COVID-19.
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Amer SA, Albeladi OA, Elshabrawy AM, Alsharief NH, Alnakhli FM, Almugathaui AF, Almashahadi SS, Dawood HM, Malik MB, Shah J, and Aiash H
- Abstract
Background: Coronavirus disease 2019 (COVID-19) is a new pandemic disease, associated with substantial morbidity and mortality. Its diagnosis requires centralized facilities and time., Aims: To describe the exposure history and clinical picture of the COVID-19 patients, to study the SARS-CoV-2 Virus load and some determinants that may correlate with its prognosis, and to evaluate the role of inflammatory index NLR as an early predictor of COVID-19 prognosis., Methodology: A prospective follow-up study included laboratory-confirmed 179 COVID-19 cases out of 660 suspected COVID-19 cases, at El-Madinah El-Monawarah General Hospital in April 2020. Confirmed cases were managed by the Saudi Protocol and followed up every 2 weeks by PCR, neutrophil to lymphocyte ratio (NLR) for 1 month. Data were collected through a validated questionnaire and by qualified infection control staff., Results: The majority of the COVID-19 cases were 67 (37.4%) aged 30 to <45 years, 157 (87.7%) males, 76.0% working outside the medical field. 38.0% were asymptomatic and 26.3% had severe symptoms, while the main presenting symptoms were fever and dry cough (49.7% and 43.6%), respectively. The case fatality was 7.8%. The male, nonmedical occupation, and low level of education had a statistically significant relationship with the baseline PCR. There was an inverse significant correlation between baseline PCR readings and the recovery duration and health status outcomes. NLR was noted to be significantly higher among old age, illiterate nonmedical occupation, case with severe symptoms, MICU admission, and worst health status outcomes, but it was paradoxically higher among nonadmitted positive cases., Conclusion: Admitted COVID-19 cases outcomes (disease severity, ICU admission, and mortality) significantly correlated to NLR and not to the baseline PCR viral load. NLR could be a beneficial prognostic and triaging parameter especially old nonmedical COVID-19 patients., Competing Interests: The authors reported no potential conflict of interest., (© 2021 The Authors. Health Science Reports published by Wiley Periodicals LLC.) more...
- Published
- 2021
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18. Mobile perceived trust mediation on the intention and adoption of FinTech innovations using mobile technology: A systematic literature review.
- Author
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Dawood HM, Liew CY, and Lau TC
- Subjects
- Artificial Intelligence, Humans, Technology, Trust, COVID-19, Intention
- Abstract
The banking and financial sectors have witnessed a significant development recently due to financial technology (FinTech), and it has become an essential part of the financial system. Many factors helped the development of this sector, including the pandemics such as Covid-19, the considerable increasing market value of the FinTech sector worldwide, and new technologies such as blockchain, artificial intelligence, big data, cloud computing and mobile technology. Moreover, changes in consumer's preferences, especially the Z-generation (digital generation). FinTech shifted the traditional business models to mobile platforms characterized by ease of access and swift transactions. Mobile technology became the main backbone for FinTech innovations and acts as a channel to deliver FinTech services that overcome all geographical and timing barriers, thus enhancing financial inclusion. Mobile perceived Trust (MPT), or the trust in using financial business models via mobile technology, is a crucial factor in the FinTech context that has mediation effects on the intention and adoption of different FinTech business models. Unfortunately, few studies have explored MPT mediations on consumers' intention to adopt FinTech innovations using mobile technology. Typically, many studies examined trust/MPT as an independent and unidirectional variable and investigated its effects on behaviour intention without predicting its mediation effects. This study aimed to develop a systematic literature review on MPT mediation in FinTech, focusing on the period from 2016 and 2021, in journals ranked Q1 and Q2, and known-based theories such as the technology acceptance model, the unified theory of acceptance and use of technology, and the mobile technology acceptance model. This study found that only four articles were published in Q1 and Q2 journals. In these articles, the MPT was used as a mediator, and its effects were measured on the intention and adoption of the behaviour., Competing Interests: No competing interests were disclosed., (Copyright: © 2021 Dawood HM et al.) more...
- Published
- 2021
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19. Integrated in silico-in vitro strategy for screening of some traditional Egyptian plants for human aromatase inhibitors.
- Author
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Dawood HM, Ibrahim RS, Shawky E, Hammoda HM, and Metwally AM
- Subjects
- Aromatase metabolism, Computer Simulation, Databases, Factual, Egypt, Humans, Medicine, Traditional, Molecular Docking Simulation, Plants, Medicinal, Quantitative Structure-Activity Relationship, Aromatase Inhibitors pharmacology, Drug Discovery methods, Magnoliopsida, Plant Extracts pharmacology
- Abstract
Ethnopharmacological Relevance: Aromatase enzyme (CYP19) is widely known as a critical target protein for treating hormone-dependent breast cancer. Natural products from traditional medicinal plants continue to be an active source of aromatase inhibitors. Meanwhile, high cost of experimental work and low hit rate associated with HTS have stimulated the implementation of in-silico virtual screening to resolve these pitfalls, where coupling of both classical wet lab procedure and VS may offer a more deepened access to bioactive compounds with less work and time waste., Aim of the Study: In this work, a sequential structure-based and ligand-based virtual screening strategy was utilized for investigating an in-house database of 1720 phytochemical constituents of 29 medicinal plants and natural products used in traditional Egyptian medicine to search for compounds with the potential to be used as inhibitors of the human aromatase enzyme., Materials and Methods: The suggested strategy included using Glide docking with its feature 'extra precision (XP)' for carrying out structure-based virtual screening (SBVS) where the resulting hits were further promoted to ligand-based virtual screening (LBVS) through the development of two pharmacophore and QSAR models; one for steroidal and the other for non-steroidal aromatase inhibitors., Results: The combined results revealed that Artemisia annua, Zingiber officinale, Cicer arietinum, Annona muricata and Vitex agnus castus were the top scoring plants in terms of in-silico activity scores, respectively. The hydro-alcoholic extracts and different solvent fractions of the top scoring plants were subsequently tested experimentally for their aromatase inhibitory activity, by the aid of in-vitro fluorometric assay. The rank ordering of the activities for the plants agreed with the ordering predicted on the basis of SBVS and LBVS workflow implemented., Conclusion: The suggested strategy provides a reliable means of prospecting in-silico screening of natural products databases in the search for new dug leads as aromatase inhibitors. The hits so obtained can then be subjected to further phytochemical studies, to isolate and identify suitable compounds for further in-vitro testing., (Copyright © 2018 Elsevier B.V. All rights reserved.) more...
- Published
- 2018
- Full Text
- View/download PDF
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