Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies
Alzain, Abdulrahim A., Elbadwi, Fatima A., Alsamani, Fatima O.
Published in Informatics in medicine unlocked (2022)
Published in Informatics in medicine unlocked (2022)
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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 and molecular dynamics studies
Alzain, Abdulrahim A, Elbadwi, Fatima A, Shoaib, Tagyedeen H, Sherif, Asmaa E, Osman, Wadah, Ashour, Ahmed, Mohamed, Gamal A, Ibrahim, Sabrin R M, Roh, Eun Joo, Hassan, Ahmed H E
Published in Frontiers in chemistry (2024)
Published in Frontiers in chemistry (2024)
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Journal Article
Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation
Alzain, Abdulrahim A, Mukhtar, Rua M, Abdelmoniem, Nihal, Elbadwi, Fatima A, Hussien, Amira, Garelnabi, Elrashied A E, Osman, Wadah, Sherif, Asmaa E, Khedr, Amgad I M, Ghazawi, Kholoud F, Samman, Waad A, Ibrahim, Sabrin R M, Mohamed, Gamal A, Ashour, Ahmed
Published in Metabolites (15.05.2023)
Published in Metabolites (15.05.2023)
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Identification of novel transmembrane Protease Serine Type 2 drug candidates for COVID-19 using computational studies
Elbadwi, Fatima A., Khairy, Elaf A., Alsamani, Fatima O., Mahadi, Mariam A., Abdalrahman, Segood E., Ahmed, Zain Alsharf M., Elsayed, Inas, Ibraheem, Walaa, Alzain, Abdulrahim A.
Published in Informatics in medicine unlocked (2021)
Published in Informatics in medicine unlocked (2021)
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Journal Article
Design of new Mcl-1 inhibitors for cancer using fragments hybridization, molecular docking, and molecular dynamics studies
Alzain, Abdulrahim A., Elbadwi, Fatima A., Mukhtar, Rua M., Shoaib, Tagyedeen H., Abdelmoniem, Nihal, Miski, Samar F., Ghazawi, Kholoud F., Alsulaimany, Marwa, Mohamed, Shaimaa G. A., Ainousah, Bayan E., Hussein, Hazem G. A., Mohamed, Gamal A., Ibrahim, Sabrin R. M.
Published in Journal of biomolecular structure & dynamics (14.11.2023)
Published in Journal of biomolecular structure & dynamics (14.11.2023)
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Journal Article
Utilization of computational methods for the identification of new natural inhibitors of human neutrophil elastase in inflammation therapy
Alzain, Abdulrahim A., Elbadwi, Fatima A., Al-Karmalawy, Ahmed A., Elhag, Rashid, Osman, Wadah, Mothana, Ramzi A.
Published in Open Chemistry (24.11.2023)
Published in Open Chemistry (24.11.2023)
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Shedding light on Paraconiothyrium brasiliense: Secondary metabolites, biological activities, and computational studies
Ibrahim, Sabrin R. M., A. Alzain, Abdulrahim, Elbadwi, Fatima A., E. Koshak, Abdulrahman, AlSaedi, Aram Hamad, Ashour, Ahmed, Osman, Wadah, Sindi, Ikhlas A., El-Sayed, Selwan M., Farahat, Abdelbasset A., Hassan, Ahmed H.E., Mohamed, Gamal A.
Published in Journal of applied pharmaceutical science (2024)
Published in Journal of applied pharmaceutical science (2024)
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