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Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation.
Alzain AA, Mukhtar RM, Abdelmoniem N, Elbadwi FA, Hussien A, Garelnabi EAE, Osman W, Sherif AE, Khedr AIM, Ghazawi KF, Samman WA, Ibrahim SRM, Mohamed GA, Ashour A. Alzain AA, et al. Among authors: garelnabi eae. Metabolites. 2023 May 15;13(5):658. doi: 10.3390/metabo13050658. Metabolites. 2023. PMID: 37233699 Free PMC article.
Unlocking the potential of approved drugs for the allosteric inhibition of tropomyosin-receptor kinase A using molecular docking and molecular dynamics studies.
Mukhtar RM, Abdelmoniem N, Elrufaie HA, Edris A, Ghaboosh H, Mahgoub MA, Garelnabi EAE, Osman W, Sherif AE, Ashour A, Ghazawi KF, Samman WA, Alhaddad AA, Bafail R, Ibrahim SRM, Mohamed GA, Alzain AA. Mukhtar RM, et al. Among authors: garelnabi eae. Front Chem. 2023 Jun 7;11:1205724. doi: 10.3389/fchem.2023.1205724. eCollection 2023. Front Chem. 2023. PMID: 37351516 Free PMC article.
Design of Novel Letrozole Analogues Targeting Aromatase for Breast Cancer: Molecular Docking, Molecular Dynamics, and Theoretical Studies on Gold Nanoparticles.
Edris A, Abdelrahman M, Osman W, Sherif AE, Ashour A, Garelnabi EAE, Ibrahim SRM, Bafail R, Samman WA, Ghazawi KF, Mohamed GA, Alzain AA. Edris A, et al. Among authors: garelnabi eae. Metabolites. 2023 Apr 23;13(5):583. doi: 10.3390/metabo13050583. Metabolites. 2023. PMID: 37233624 Free PMC article.