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Synthesis, X-ray crystal structure, Hirshfeld surface analysis and computational investigation into the potential inhibitory action of novel 6-(p-tolyl)-2-((p-tolyl)thio)methyl-7H-[1.2.4]triazolo[5,1-b][1,3,4]thiadiazine inhibits the main protease of COVID-19.
Mohamed SK, Anouar EH, Ahmad S, Abbady MS, Abdel-Wadood FK, Qahtan MQM, Mague JT, El Bakri Y. Mohamed SK, et al. Among authors: ahmad s. J Biomol Struct Dyn. 2023;41(23):14275-14284. doi: 10.1080/07391102.2023.2180432. Epub 2023 Feb 16. J Biomol Struct Dyn. 2023. PMID: 36794735
Integrated virtual screening and molecular dynamics simulation approaches revealed potential natural inhibitors for DNMT1 as therapeutic solution for triple negative breast cancer.
Bashir Y, Noor F, Ahmad S, Tariq MH, Qasim M, Tahir Ul Qamar M, Almatroudi A, Allemailem KS, Alrumaihi F, Alshehri FF. Bashir Y, et al. Among authors: ahmad s. J Biomol Struct Dyn. 2024 Feb-Mar;42(3):1099-1109. doi: 10.1080/07391102.2023.2198017. Epub 2023 Apr 6. J Biomol Struct Dyn. 2024. PMID: 37021492
Design and validation of a novel multi-epitopes vaccine against hantavirus.
Almanaa TN, Mubarak A, Sajjad M, Ullah A, Hassan M, Waheed Y, Irfan M, Khan S, Ahmad S. Almanaa TN, et al. Among authors: ahmad s. J Biomol Struct Dyn. 2024 May;42(8):4185-4195. doi: 10.1080/07391102.2023.2219324. Epub 2023 Jun 1. J Biomol Struct Dyn. 2024. PMID: 37261466
Integrated molecular modeling and dynamics approaches revealed potential natural inhibitors of NF-κB transcription factor as breast cancer therapeutics.
Zubair M, Khalil S, Rasul I, Nadeem H, Noor F, Ahmad S, Alrumaihi F, Allemailem KS, Almatroudi A, Alshehri FF, Alshehri ZS. Zubair M, et al. Among authors: ahmad s. J Biomol Struct Dyn. 2023;41(24):14715-14729. doi: 10.1080/07391102.2023.2214209. Epub 2023 Jun 10. J Biomol Struct Dyn. 2023. PMID: 37301608
8,130 results