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Exploring the therapeutic potential of galidesivir analogs against Zaire ebolavirus protein 24 (V24): database screening, molecular docking, drug-relevant property evaluation and molecular dynamics simulations.
Hassan HA, Abdelwahab SF, Al-Khdhairawi A, Al Zrkani MK, Rehman HM, Abdel-Rahman IM, El-Sheikh AAK, Abdelhamid MM. Hassan HA, et al. Among authors: rehman hm. J Biomol Struct Dyn. 2023 Jul 21:1-11. doi: 10.1080/07391102.2023.2236720. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37477257
In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics.
Belghalia E, Ouabane M, El Bahi S, Rehman HM, Sbai A, Lakhlifi T, Bouachrine M. Belghalia E, et al. Among authors: rehman hm. J Biomol Struct Dyn. 2023 Sep 1:1-19. doi: 10.1080/07391102.2023.2250460. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37656159
Whole proteome analysis of MDR Klebsiella pneumoniae to identify mRNA and multiple epitope based vaccine targets against emerging nosocomial and lungs associated infections.
Naveed M, Jabeen K, Aziz T, Mughual MS, Ul-Hassan J, Sheraz M, Rehman HM, Alharbi M, Albekairi TH, Alasmari AF. Naveed M, et al. Among authors: rehman hm. J Biomol Struct Dyn. 2023 Dec 23:1-14. doi: 10.1080/07391102.2023.2293266. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 38141172
XRD/DFT, Hirshfeld surface analysis and molecular modelling simulations for unfolding reactivity of newly synthesized vanillin derivatives: excellent optical, NLO and protein binding efficiency.
Mohamed SK, Ahsin A, Rehman HM, Mohammed HH, Mague JT, Al-Salahi R, El Bakri Y, Hussein BRM. Mohamed SK, et al. Among authors: rehman hm. J Biomol Struct Dyn. 2024 Feb 2:1-19. doi: 10.1080/07391102.2024.2308774. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38305762
61 results