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Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
Mandal M, Xiao L, Pan W, Scapin G, Li G, Tang H, Yang SW, Pan J, Root Y, de Jesus RK, Yang C, Prosise W, Dayananth P, Mirza A, Therien AG, Young K, Flattery A, Garlisi C, Zhang R, Chu D, Sheth P, Chu I, Wu J, Markgraf C, Kim HY, Painter R, Mayhood TW, DiNunzio E, Wyss DF, Buevich AV, Fischmann T, Pasternak A, Dong S, Hicks JD, Villafania A, Liang L, Murgolo N, Black T, Hagmann WK, Tata J, Parmee ER, Weber AE, Su J, Tang H. Mandal M, et al. Among authors: root y. J Med Chem. 2022 Dec 22;65(24):16234-16251. doi: 10.1021/acs.jmedchem.2c00766. Epub 2022 Dec 7. J Med Chem. 2022. PMID: 36475645
Discovery of a vorapaxar analog with increased aqueous solubility.
Xia Y, Chackalamannil S, Greenlee WJ, Wang Y, Hu Z, Root Y, Wong J, Kong J, Ahn HS, Boykow G, Hsieh Y, Kurowski S, Chintala M. Xia Y, et al. Among authors: root y. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6676-9. doi: 10.1016/j.bmcl.2010.09.009. Epub 2010 Sep 15. Bioorg Med Chem Lett. 2010. PMID: 20888225