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Proof-of-concept studies with a computationally designed Mpro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Papini C, Ullah I, Ranjan AP, Zhang S, Wu Q, Spasov KA, Zhang C, Mothes W, Crawford JM, Lindenbach BD, Uchil PD, Kumar P, Jorgensen WL, Anderson KS. Papini C, et al. Among authors: jorgensen wl. Proc Natl Acad Sci U S A. 2024 Apr 23;121(17):e2320713121. doi: 10.1073/pnas.2320713121. Epub 2024 Apr 15. Proc Natl Acad Sci U S A. 2024. PMID: 38621119 Free PMC article.
From docking false-positive to active anti-HIV agent.
Barreiro G, Kim JT, Guimarães CR, Bailey CM, Domaoal RA, Wang L, Anderson KS, Jorgensen WL. Barreiro G, et al. Among authors: jorgensen wl. J Med Chem. 2007 Nov 1;50(22):5324-9. doi: 10.1021/jm070683u. Epub 2007 Oct 6. J Med Chem. 2007. PMID: 17918923 Free PMC article.
234 results