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Discovery of novel natural products as dual MNK/PIM inhibitors for acute myeloid leukemia treatment: Pharmacophore modeling, molecular docking, and molecular dynamics studies.
Mohamed LM, Eltigani MM, Abdallah MH, Ghaboosh H, Bin Jardan YA, Yusuf O, Elsaman T, Mohamed MA, Alzain AA. Mohamed LM, et al. Among authors: alzain aa. Front Chem. 2022 Jul 22;10:975191. doi: 10.3389/fchem.2022.975191. eCollection 2022. Front Chem. 2022. PMID: 35936081 Free PMC article.
Discovery of novel potential inhibitors of TMPRSS2 and Mpro of SARS-CoV-2 using E-pharmacophore and docking-based virtual screening combined with molecular dynamic and quantum mechanics.
Mahgoub MA, Alnaem A, Fadlelmola M, Abo-Idris M, Makki AA, Abdelgadir AA, Alzain AA. Mahgoub MA, et al. Among authors: alzain aa. J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6775-6788. doi: 10.1080/07391102.2022.2112080. Epub 2022 Aug 23. J Biomol Struct Dyn. 2023. PMID: 35997154
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. Among authors: alzain aa. Molecules. 2023 Feb 13;28(4):1771. doi: 10.3390/molecules28041771. Molecules. 2023. PMID: 36838758 Free PMC article.
39 results