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Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors.
Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J. Storer RI, et al. Among authors: shanmugasundaram v. J Med Chem. 2014 Jun 26;57(12):5258-69. doi: 10.1021/jm5003292. Epub 2014 Jun 17. J Med Chem. 2014. PMID: 24878222
Chemical and computational methods for the characterization of covalent reactive groups for the prospective design of irreversible inhibitors.
Flanagan ME, Abramite JA, Anderson DP, Aulabaugh A, Dahal UP, Gilbert AM, Li C, Montgomery J, Oppenheimer SR, Ryder T, Schuff BP, Uccello DP, Walker GS, Wu Y, Brown MF, Chen JM, Hayward MM, Noe MC, Obach RS, Philippe L, Shanmugasundaram V, Shapiro MJ, Starr J, Stroh J, Che Y. Flanagan ME, et al. Among authors: shanmugasundaram v. J Med Chem. 2014 Dec 11;57(23):10072-9. doi: 10.1021/jm501412a. Epub 2014 Nov 26. J Med Chem. 2014. PMID: 25375838
Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen receptor antagonist devoid of phototoxicity for dermatological indications.
Li JJ, Iula DM, Nguyen MN, Hu LY, Dettling D, Johnson TR, Du DY, Shanmugasundaram V, Van Camp JA, Wang Z, Harter WG, Yue WS, Boys ML, Wade KJ, Drummond EM, Samas BM, Lefker BA, Hoge GS, Lovdahl MJ, Asbill J, Carroll M, Meade MA, Ciotti SM, Krieger-Burke T. Li JJ, et al. Among authors: shanmugasundaram v. J Med Chem. 2008 Nov 13;51(21):7010-4. doi: 10.1021/jm8009316. Epub 2008 Oct 16. J Med Chem. 2008. PMID: 18921992
Potent inhibitors of LpxC for the treatment of Gram-negative infections.
Brown MF, Reilly U, Abramite JA, Arcari JT, Oliver R, Barham RA, Che Y, Chen JM, Collantes EM, Chung SW, Desbonnet C, Doty J, Doroski M, Engtrakul JJ, Harris TM, Huband M, Knafels JD, Leach KL, Liu S, Marfat A, Marra A, McElroy E, Melnick M, Menard CA, Montgomery JI, Mullins L, Noe MC, O'Donnell J, Penzien J, Plummer MS, Price LM, Shanmugasundaram V, Thoma C, Uccello DP, Warmus JS, Wishka DG. Brown MF, et al. Among authors: shanmugasundaram v. J Med Chem. 2012 Jan 26;55(2):914-23. doi: 10.1021/jm2014748. Epub 2012 Jan 11. J Med Chem. 2012. PMID: 22175825
Pantolactams as androgen receptor antagonists for the topical suppression of sebum production.
Sexton KE, Barrett S, Bridgwood K, Carroll M, Dettling D, Du D, Fakhoury S, Fedij V, Hu LY, Kostlan C, Pocalyko D, Raheja N, Smith Y, Shanmugasundaram V, Wade K. Sexton KE, et al. Among authors: shanmugasundaram v. Bioorg Med Chem Lett. 2011 Sep 15;21(18):5230-3. doi: 10.1016/j.bmcl.2011.07.048. Epub 2011 Jul 23. Bioorg Med Chem Lett. 2011. PMID: 21831636
Smoothened antagonists for hair inhibition.
Li JJ, Shanmugasundaram V, Reddy S, Fleischer LL, Wang Z, Smith Y, Harter WG, Yue WS, Swaroop M, Li L, Ji CX, Dettling D, Osak B, Fitzgerald LR, Conradi R. Li JJ, et al. Among authors: shanmugasundaram v. Bioorg Med Chem Lett. 2010 Aug 15;20(16):4932-5. doi: 10.1016/j.bmcl.2010.06.033. Epub 2010 Jun 11. Bioorg Med Chem Lett. 2010. PMID: 20620058
Pyridone-conjugated monobactam antibiotics with gram-negative activity.
Brown MF, Mitton-Fry MJ, Arcari JT, Barham R, Casavant J, Gerstenberger BS, Han S, Hardink JR, Harris TM, Hoang T, Huband MD, Lall MS, Lemmon MM, Li C, Lin J, McCurdy SP, McElroy E, McPherson C, Marr ES, Mueller JP, Mullins L, Nikitenko AA, Noe MC, Penzien J, Plummer MS, Schuff BP, Shanmugasundaram V, Starr JT, Sun J, Tomaras A, Young JA, Zaniewski RP. Brown MF, et al. Among authors: shanmugasundaram v. J Med Chem. 2013 Jul 11;56(13):5541-52. doi: 10.1021/jm400560z. Epub 2013 Jun 27. J Med Chem. 2013. PMID: 23755848
56 results