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Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

Journal of pharmaceutical analysis, 2020-08, Vol.10 (4), p.313-319

2020

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Bioinformatics and network pharmacology-based study to elucidate the multi-target pharmacological mechanism of the indigenous plants of Medina valley in treating HCV-related hepatocellular carcinoma

Saudi pharmaceutical journal, 2023-06, Vol.31 (6), p.1125-1138

Alamri, Mubarak A.

2023

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Adamantane-derived scaffolds targeting the sigma-2 receptor; an in vitro and in silico study

Saudi pharmaceutical journal, 2021-10, Vol.29 (10), p.1166-1172

2021

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Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics

Arabian journal of chemistry, 2020-09, Vol.13 (9), p.7224-7234

2020

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Network pharmacology based virtual screening of Flavonoids from Dodonea angustifolia and the molecular mechanism against inflammation

Saudi pharmaceutical journal, 2023-11, Vol.31 (11), p.101802-101802, Article 101802

2023

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Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; Molecular Mechanics Poisson-Boltzmann Surface Area; Frontier Molecular Orbital Theory; Molecular Electrostatic Potential; and Absorption, Distribution, Metabolism, Excretion, and Toxicity Analysis

Molecules (Basel, Switzerland), 2023-06, Vol.28 (13), p.5050

2023

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Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches

Journal of pharmaceutical analysis, 2020-12, Vol.10 (6), p.546-559

2020

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Identification of novel STAT3 inhibitors for liver fibrosis, using pharmacophore-based virtual screening, molecular docking, and biomolecular dynamics simulations

Scientific reports, 2023-11, Vol.13 (1), p.20147-20147, Article 20147

2023

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HPLC Method Validation for the Estimation of Lignocaine HCl, Ketoprofen and Hydrocortisone: Greenness Analysis Using AGREE Score

International journal of molecular sciences, 2022-12, Vol.24 (1), p.440

2022

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Molecular and Structural Analysis of Specific Mutations from Saudi Isolates of SARS-CoV-2 RNA-Dependent RNA Polymerase and their Implications on Protein Structure and Drug-Protein Binding

Molecules (Basel, Switzerland), 2022-10, Vol.27 (19), p.6475

2022

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Discovery of Rift Valley fever virus natural pan-inhibitors by targeting its multiple key proteins through computational approaches

Scientific reports, 2022-06, Vol.12 (1), p.9260-9260, Article 9260

2022

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Discovery of potential phytochemicals as inhibitors of TcdB, a major virulence factors of Clostridioides difficile

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (22), p.12768-12776

2023

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Structural and Dynamical Basis of VP35-RBD Inhibition by Marine Fungi Compounds to Combat Marburg Virus Infection

Marine drugs, 2024-01, Vol.22 (1), p.34

2024

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Analyzing the effect of mutations in SARS-CoV2 papain-like protease from Saudi isolates on protein structure and drug-protein binding: Molecular modelling and dynamics studies

Saudi journal of biological sciences, 2022-01, Vol.29 (1), p.526-533

2022

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Synthesis and Anticancer Evaluation of 4-Chloro-2-((5-aryl-1,3,4-oxadiazol-2-yl)amino)phenol Analogues: An Insight into Experimental and Theoretical Studies

Molecules (Basel, Switzerland), 2023-08, Vol.28 (16), p.6086

2023

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Novel and Potential Small Molecule Scaffolds as DYRK1A Inhibitors by Integrated Molecular Docking-Based Virtual Screening and Dynamics Simulation Study

Molecules (Basel, Switzerland), 2022-02, Vol.27 (4), p.1159

2022

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Synthesis, Anticancer Screening of Some Novel Trimethoxy Quinazolines and VEGFR2, EGFR Tyrosine Kinase Inhibitors Assay; Molecular Docking Studies

Molecules (Basel, Switzerland), 2021-05, Vol.26 (10), p.2992

2021

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Structural Elucidation of Rift Valley Fever Virus L Protein towards the Discovery of Its Potential Inhibitors

Pharmaceuticals (Basel, Switzerland), 2022-05, Vol.15 (6), p.659

2022

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Development of a candidate multi-epitope vaccine against Sphingobacterium spiritivorum : Reverse vaccinology and immunoinformatics approach

Saudi medical journal, 2023-06, Vol.44 (6), p.544-559

Alamri, Mubarak A

2023

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Anti-Diabetic Activity of Bioactive Compound Extracted from Spondias mangifera Fruit: In-Vitro and Molecular Docking Approaches

Plants (Basel), 2022-02, Vol.11 (4), p.562

2022

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Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target

BMC chemistry, 2024-03, Vol.18 (1), p.57-57, Article 57

2024

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Identification of new potent NLRP3 inhibitors by multi-level in-silico approaches

BMC chemistry, 2024-04, Vol.18 (1), p.76-76, Article 76

2024

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Pharmacoinformatics and molecular dynamic simulation studies to identify potential small-molecule inhibitors of WNK-SPAK/OSR1 signaling that mimic the RFQV motifs of WNK kinases

Arabian journal of chemistry, 2020-04, Vol.13 (4), p.5107-5117

Alamri, Mubarak A.

2020

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Ameliorative Sexual Behavior and Phosphodiesterase-5 Inhibitory Effects of Spondias mangifera Fruit Extract in Rodents: In Silico , In Vitro , and In Vivo Study

Journal of clinical medicine, 2022-06, Vol.11 (13), p.3732

2022

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Network pharmacology and molecular dynamic simulation integrated strategy for the screening of active components and mechanisms of phytochemicals from Datura innoxia on Alzheimer and cognitive decline

Journal of biomolecular structure & dynamics, 2024-01, p.1-17

2024

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Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

Bioinformatics and network pharmacology-based study to elucidate the multi-target pharmacological mechanism of the indigenous plants of Medina valley in treating HCV-related hepatocellular carcinoma

Adamantane-derived scaffolds targeting the sigma-2 receptor; an in vitro and in silico study

Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics

Network pharmacology based virtual screening of Flavonoids from Dodonea angustifolia and the molecular mechanism against inflammation

Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches

Identification of novel STAT3 inhibitors for liver fibrosis, using pharmacophore-based virtual screening, molecular docking, and biomolecular dynamics simulations

HPLC Method Validation for the Estimation of Lignocaine HCl, Ketoprofen and Hydrocortisone: Greenness Analysis Using AGREE Score

Molecular and Structural Analysis of Specific Mutations from Saudi Isolates of SARS-CoV-2 RNA-Dependent RNA Polymerase and their Implications on Protein Structure and Drug-Protein Binding

Discovery of Rift Valley fever virus natural pan-inhibitors by targeting its multiple key proteins through computational approaches

Discovery of potential phytochemicals as inhibitors of TcdB, a major virulence factors of Clostridioides difficile

Structural and Dynamical Basis of VP35-RBD Inhibition by Marine Fungi Compounds to Combat Marburg Virus Infection

Analyzing the effect of mutations in SARS-CoV2 papain-like protease from Saudi isolates on protein structure and drug-protein binding: Molecular modelling and dynamics studies

Synthesis and Anticancer Evaluation of 4-Chloro-2-((5-aryl-1,3,4-oxadiazol-2-yl)amino)phenol Analogues: An Insight into Experimental and Theoretical Studies

Novel and Potential Small Molecule Scaffolds as DYRK1A Inhibitors by Integrated Molecular Docking-Based Virtual Screening and Dynamics Simulation Study

Synthesis, Anticancer Screening of Some Novel Trimethoxy Quinazolines and VEGFR2, EGFR Tyrosine Kinase Inhibitors Assay; Molecular Docking Studies

Structural Elucidation of Rift Valley Fever Virus L Protein towards the Discovery of Its Potential Inhibitors

Development of a candidate multi-epitope vaccine against Sphingobacterium spiritivorum : Reverse vaccinology and immunoinformatics approach

Anti-Diabetic Activity of Bioactive Compound Extracted from Spondias mangifera Fruit: In-Vitro and Molecular Docking Approaches

Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target

Identification of new potent NLRP3 inhibitors by multi-level in-silico approaches

Pharmacoinformatics and molecular dynamic simulation studies to identify potential small-molecule inhibitors of WNK-SPAK/OSR1 signaling that mimic the RFQV motifs of WNK kinases

Ameliorative Sexual Behavior and Phosphodiesterase-5 Inhibitory Effects of Spondias mangifera Fruit Extract in Rodents: In Silico , In Vitro , and In Vivo Study

Network pharmacology and molecular dynamic simulation integrated strategy for the screening of active components and mechanisms of phytochemicals from Datura innoxia on Alzheimer and cognitive decline

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