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Muhammad I. Ismail

Observed name: Muhammad Ismail
ORCID: 0000-0003-2562-4357
Observed ORCID: 0000-0003-2562-4357
OpenAlex ID: A5032282292
Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo Studies
2021 · Heba A. El Gizawy, Sylvia A. Boshra, et al. · Molecules · 85
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Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization
2021 · Ayman Abo Elmaaty, Mohammed I. A. Hamed, et al. · Molecules · 76
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Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: In silico Methods and Benchmarking
2020 · Tamer M. Ibrahim, Muhammad I. Ismail, et al. · Frontiers in Chemistry · 40
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Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain
2021 · Mahmoud S. Ahmed, Ping Wang, et al. · Proceedings of the National Academy of Sciences · 29
Targeting multiple conformations of SARS-CoV2 Papain-Like Protease for drug repositioning: An in-silico study
2021 · Muhammad I. Ismail, Hanan M. Ragab, et al. · Computers in Biology and Medicine · 28
Facilitating SARS CoV-2 RNA-Dependent RNA polymerase (RdRp) drug discovery by the aid of HCV NS5B palm subdomain binders: In silico approaches and benchmarking
2021 · Laila K. Elghoneimy, Muhammad I. Ismail, et al. · Computers in Biology and Medicine · 26
Design, Synthesis, and Biological Evaluation of Novel 7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazine Inhibitors as Antitumor Agents
2020 · Muhammad I. Ismail, Samy Mohamady, et al. · ACS Omega · 26
Cyclodextrin Complex Formation with Water-Soluble Drugs: Conclusions from Isothermal Titration Calorimetry and Molecular Modeling
2021 · Karim S. Shalaby, Muhammad I. Ismail, et al. · AAPS PharmSciTech · 21
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Discovery of 5-aryl-3-thiophen-2-yl-1H-pyrazoles as a new class of Hsp90 inhibitors in hepatocellular carcinoma
2019 · Samy Mohamady, Muhammad I. Ismail, et al. · Bioorganic Chemistry · 21
Investigation of SARS-CoV-2 Main Protease Potential Inhibitory Activities of Some Natural Antiviral Compounds Via Molecular Docking and Dynamics Approaches
2022 · Nada M. Mostafa, Muhammad I. Ismail, et al. · Phyton · 10
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In Silico Targeting of Fascin Protein for Cancer Therapy: Benchmarking, Virtual Screening and Molecular Dynamics Approaches
2023 · Heba H. A. Hassan, Muhammad I. Ismail, et al. · Molecules · 9
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Evaluating the structure-based virtual screening performance of SARS-CoV-2 main protease: A benchmarking approach and a multistage screening example against the wild-type and Omicron variants
2025 · Noha Galal, Botros Y. Beshay, et al. · PLoS ONE · 6
Structural Optimization and MD Simulation Study of Benzimidazole Derivatives as Potent Mutant FLT3 Kinase Inhibitors Targeting AML
2025 · Nada Alaa El‐Deen, RosaAnna DeFilippis, et al. · Archiv der Pharmazie · 5
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Drug Repurposing For SARS-COV-2 Using Molecular Docking
2022 · Imra Aqeel, Abdul Majid, et al. · International Bhurban Conference on Applied Sciences and Technology (IBCAST) · 3
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Exploring conformational dynamics of the HER2 DFG-flip using machine-learning-guided metadynamics for type II inhibitor design
2026 · Muhammad I. Ismail, Mai Adel, et al. · Computational Biology and Chemistry
Enhanced Binding Affinity Prediction via Transformer‑Based Protein Embeddings and Ensemble Learning
2025 · Muhammad Ismail, Abdul Majid, et al.
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Enhanced Binding Affinity Prediction via Transformer‑Based Protein Embeddings and Ensemble Learning
2025 · Muhammad Ismail, Abdul majid, et al.
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In silico study to find a potent inhibitor, Vilazodone, to cure COVID-19 using molecular docking
2022 · Muhammad Ismail, Imra Aqeel, et al.
Works count: 18
Citation count: 385
H-index: 10
I10-index: 10
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