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Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Toelzer C, Gupta K, Yadav SKN, Borucu U, Davidson AD, Kavanagh Williamson M, Shoemark DK, Garzoni F, Staufer O, Milligan R, Capin J, Mulholland AJ, Spatz J, Fitzgerald D, Berger I, Schaffitzel C. Toelzer C, et al. Among authors: shoemark dk. Science. 2020 Nov 6;370(6517):725-730. doi: 10.1126/science.abd3255. Epub 2020 Sep 21. Science. 2020. PMID: 32958580 Free PMC article.
Neuropilin-1 is a host factor for SARS-CoV-2 infection.
Daly JL, Simonetti B, Klein K, Chen KE, Williamson MK, Antón-Plágaro C, Shoemark DK, Simón-Gracia L, Bauer M, Hollandi R, Greber UF, Horvath P, Sessions RB, Helenius A, Hiscox JA, Teesalu T, Matthews DA, Davidson AD, Collins BM, Cullen PJ, Yamauchi Y. Daly JL, et al. Among authors: shoemark dk. Science. 2020 Nov 13;370(6518):861-865. doi: 10.1126/science.abd3072. Epub 2020 Oct 20. Science. 2020. PMID: 33082294 Free PMC article.
Frontispiz: Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein.
Shoemark DK, Colenso CK, Toelzer C, Gupta K, Sessions RB, Davidson AD, Berger I, Schaffitzel C, Spencer J, Mulholland AJ. Shoemark DK, et al. Angew Chem Weinheim Bergstr Ger. 2021 Mar 22;133(13):10.1002/ange.202181362. doi: 10.1002/ange.202181362. Epub 2021 Mar 15. Angew Chem Weinheim Bergstr Ger. 2021. PMID: 34230706 Free PMC article.
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding.
Chan HTH, Moesser MA, Walters RK, Malla TR, Twidale RM, John T, Deeks HM, Johnston-Wood T, Mikhailov V, Sessions RB, Dawson W, Salah E, Lukacik P, Strain-Damerell C, Owen CD, Nakajima T, Świderek K, Lodola A, Moliner V, Glowacki DR, Spencer J, Walsh MA, Schofield CJ, Genovese L, Shoemark DK, Mulholland AJ, Duarte F, Morris GM. Chan HTH, et al. Among authors: shoemark dk. Chem Sci. 2021 Sep 6;12(41):13686-13703. doi: 10.1039/d1sc03628a. eCollection 2021 Oct 27. Chem Sci. 2021. PMID: 34760153 Free PMC article.
46 results