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The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies.
Mol Ther. 2022 Feb 2;30(2):963-974. doi: 10.1016/j.ymthe.2021.10.014. Epub 2021 Oct 19.
Mol Ther. 2022.
PMID: 34678509
Free PMC article.
Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Durdagi S, Dağ Ç, Dogan B, Yigin M, Avsar T, Buyukdag C, Erol I, Ertem FB, Calis S, Yildirim G, Orhan MD, Guven O, Aksoydan B, Destan E, Sahin K, Besler SO, Oktay L, Shafiei A, Tolu I, Ayan E, Yuksel B, Peksen AB, Gocenler O, Yucel AD, Can O, Ozabrahamyan S, Olkan A, Erdemoglu E, Aksit F, Tanisali G, Yefanov OM, Barty A, Tolstikova A, Ketawala GK, Botha S, Dao EH, Hayes B, Liang M, Seaberg MH, Hunter MS, Batyuk A, Mariani V, Su Z, Poitevin F, Yoon CH, Kupitz C, Sierra RG, Snell EH, DeMirci H.
Durdagi S, et al. Among authors: olkan a.
Structure. 2021 Dec 2;29(12):1382-1396.e6. doi: 10.1016/j.str.2021.07.007. Epub 2021 Aug 16.
Structure. 2021.
PMID: 34403647
Free PMC article.
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Binary-QSAR guided virtual screening of FDA approved drugs and compounds in clinical investigation against SARS-CoV-2 main protease.
Oktay L, Erdemoğlu E, Tolu İ, Yumak Y, Özcan A, Acar E, Büyükkiliç Ş, Olkan A, Durdaği S.
Oktay L, et al. Among authors: olkan a.
Turk J Biol. 2021 Aug 30;45(4):459-468. doi: 10.3906/biy-2106-61. eCollection 2021.
Turk J Biol. 2021.
PMID: 34803447
Free PMC article.
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