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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: alshehri ff. 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
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: alshehri ff. 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
Structural insights into the mechanism of resistance to bicalutamide by the clinical mutations in androgen receptor in chemo-treatment resistant prostate cancer.
Majeed A, Tahir Ul Qamar M, Maryam A, Mirza MU, Alhussain L, Al Otaibi SO, Almatroudi A, Allemailem KS, Alrumaihi F, Aloliqi AA, Alshehri FF. Majeed A, et al. Among authors: alshehri ff. J Biomol Struct Dyn. 2024 Feb-Mar;42(3):1181-1190. doi: 10.1080/07391102.2023.2208203. Epub 2023 May 5. J Biomol Struct Dyn. 2024. PMID: 37144757
Structural and energetic analysis of NS5 protein inhibition by small molecules in Japanese encephalitis virus using machine learning and steered molecular dynamics approach.
Alhazmi AY, Khan FR, Rehman ZU, Hazazi A, Alotaibi BS, Alharthi NS, Alhuthali HM, Aba Alkhayl FF, Alshehri FF, Alkhoshaiban A, Al-Otaibi F. Alhazmi AY, et al. Among authors: alshehri ff. J Biomol Struct Dyn. 2024 Feb 26:1-18. doi: 10.1080/07391102.2024.2316767. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38407246
12 results