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Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation by Abdulrahim A. Alzain, Rua M. Mukhtar, Nihal Abdelmoniem, Fatima A. Elbadwi, Amira Hussien, Elrashied A. E. Garelnabi, Wadah Osman, Asmaa E. Sherif, Amgad I. M. Khedr, Kholoud F. Ghazawi, Waad A. Samman, Sabrin R. M. Ibrahim, Gamal A. Mohamed, Ahmed Ashour
Published 2023-05-01
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Integrating computational methods guided the discovery of phytochemicals as potential Pin1 inhibitors for cancer: pharmacophore modeling, molecular docking, MM-GBSA calculations an... by Abdulrahim A. Alzain, Fatima A. Elbadwi, Tagyedeen H. Shoaib, Asmaa E. Sherif, Asmaa E. Sherif, Wadah Osman, Wadah Osman, Ahmed Ashour, Ahmed Ashour, Gamal A. Mohamed, Sabrin R. M. Ibrahim, Sabrin R. M. Ibrahim, Eun Joo Roh, Eun Joo Roh, Ahmed H. E. Hassan
Published 2024-01-01
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