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Design of new Mcl-1 inhibitors for cancer using fragments hybridization, molecular docking, and molecular dynamics studies.
Alzain AA, Elbadwi FA, Mukhtar RM, Shoaib TH, Abdelmoniem N, Miski SF, Ghazawi KF, Alsulaimany M, Mohamed SGA, Ainousah BE, Hussein HGA, Mohamed GA, Ibrahim SRM. Alzain AA, et al. Among authors: abdelmoniem n. J Biomol Struct Dyn. 2023 Nov 14:1-13. doi: 10.1080/07391102.2023.2281637. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37962580
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: abdelmoniem n. Metabolites. 2023 May 15;13(5):658. doi: 10.3390/metabo13050658. Metabolites. 2023. PMID: 37233699 Free PMC article.
Molecular Docking and Molecular Dynamics Studies Reveal the Anticancer Potential of Medicinal-Plant-Derived Lignans as MDM2-P53 Interaction Inhibitors.
Shoaib TH, Abdelmoniem N, Mukhtar RM, Alqhtani AT, Alalawi AL, Alawaji R, Althubyani MS, Mohamed SGA, Mohamed GA, Ibrahim SRM, Hussein HGA, Alzain AA. Shoaib TH, et al. Among authors: abdelmoniem n. Molecules. 2023 Sep 16;28(18):6665. doi: 10.3390/molecules28186665. Molecules. 2023. PMID: 37764441 Free PMC article.
Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies.
AbdElmoniem N, H Abdallah M, M Mukhtar R, Moutasim F, Rafie Ahmed A, Edris A, Ibraheem W, Makki AA, M Elshamly E, Elhag R, Osman W, A Mothana R, Alzain AA. AbdElmoniem N, et al. Molecules. 2023 Feb 13;28(4):1771. doi: 10.3390/molecules28041771. Molecules. 2023. PMID: 36838758 Free PMC article.
Modulation of NRF2/KEAP1-Mediated Oxidative Stress for Cancer Treatment by Natural Products Using Pharmacophore-Based Screening, Molecular Docking, and Molecular Dynamics Studies.
Alzain AA, Mukhtar RM, Abdelmoniem N, Shoaib TH, Osman W, Alsulaimany M, Aljohani AKB, Almadani SA, Alsaadi BH, Althubyani MM, Mohamed SGA, Mohamed GA, Ibrahim SRM. Alzain AA, et al. Among authors: abdelmoniem n. Molecules. 2023 Aug 10;28(16):6003. doi: 10.3390/molecules28166003. Molecules. 2023. PMID: 37630254 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: abdelmoniem n. Front Chem. 2023 Jun 7;11:1205724. doi: 10.3389/fchem.2023.1205724. eCollection 2023. Front Chem. 2023. PMID: 37351516 Free PMC article.