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Active site-specific quantum tunneling of hACE2 receptor to assess its complexing poses with selective bioactive compounds in co-suppressing SARS-CoV-2 influx and subsequent cardiac injury.
Nipun TS, Ema TI, Mia MAR, Hossen MS, Arshe FA, Ahmed SZ, Masud A, Taheya FF, Khan AA, Haque F, Azad SA, Al Hasibuzzaman M, Tanbir M, Anis S, Akter S, Mily SJ, Dey D. Nipun TS, et al. Among authors: hossen ms. J Adv Vet Anim Res. 2021 Sep 29;8(4):540-556. doi: 10.5455/javar.2021.h544. eCollection 2021 Dec. J Adv Vet Anim Res. 2021. PMID: 35106293 Free PMC article.
Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTD.
Bouback TA, Pokhrel S, Albeshri A, Aljohani AM, Samad A, Alam R, Hossen MS, Al-Ghamdi K, Talukder MEK, Ahammad F, Qadri I, Simal-Gandara J. Bouback TA, et al. Among authors: hossen ms. Molecules. 2021 Aug 17;26(16):4961. doi: 10.3390/molecules26164961. Molecules. 2021. PMID: 34443556 Free PMC article.
Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2.
Pokhrel S, Bouback TA, Samad A, Nur SM, Alam R, Abdullah-Al-Mamun M, Nain Z, Imon RR, Talukder MEK, Tareq MMI, Hossen MS, Karpiński TM, Ahammad F, Qadri I, Rahman MS. Pokhrel S, et al. Among authors: hossen ms. Int J Biol Macromol. 2021 Nov 30;191:1114-1125. doi: 10.1016/j.ijbiomac.2021.09.146. Epub 2021 Sep 27. Int J Biol Macromol. 2021. PMID: 34592225 Free PMC article.