Department of Pharmacology

Faculty

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Kyle A Emmitte, Ph.D.

Research Assistant Professor of Chemistry
Research Assistant Professor of Pharmacology
BRET Profile (opens in a new window)
kyle.a.emmitte@Vanderbilt.Edu
615-936-8401
Fax: 615-343-9332
12415B MRBIV-Langford
Nashville, TN 37232-0697

Education

Ph.D., University of North Carolina at Chapel Hill
B.S., Texas A&M University

Research Keywords

Metabotropic Glutamate Receptors, Neuroscience, CNS Disorders, Drug Discovery, Structure-based Ligand/Inhibitor Design, Medicinal Chemistry, Synthetic Chemistry, Reaction Discovery, Medicinal Chemistry, Allosteric Modulators, Fragile X Syndrome, Addiction, Depression, Anxiety

Research Description

Dr. Emmitte leads drug discovery teams and directs medicinal chemistry within the Vanderbilt Center for Neuroscience Drug Discovery. Current research efforts are focused on the discovery and optimization of novel small molecule therapeutics for the treatment of central nervous system (CNS) disorders, more specifically on allosteric modulators of G protein-coupled receptors (GPCRs), such as the metabotropic glutamate receptors (mGlu5). Dr. Emmitte recently led a project directed toward the discovery of novel negative allosteric modulators (NAMs) of mGlu5 for the treatment of fragile X disorder that culminated in the discovery of a novel preclinical candidate molecule and additional backup compounds. Additional areas of interest include the discovery and optimization of novel NAMs of mGlu1 and mGlu3. Finally, Dr. Emmitte serves as Co-director of the Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, which is a member of the Molecular Libraries Probe Production Centers Network (MLPCN) initiated and supported by the National Institutes of Health (NIH) Molecular Libraries Roadmap.

Publications

Melancon, BJ, Hopkins, CR, Wood, MR, Emmitte, KA, Niswender, CM, Christopoulos, A, Conn, PJ, Lindsley, CW. Allosteric modulation of seven transmembrane spanning receptors: theory, practice, and opportunities for central nervous system drug discovery. J Med Chem, 55(4), 1445-64, 2012

Mueller, R, Dawson, ES, Meiler, J, Rodriguez, AL, Chauder, BA, Bates, BS, Felts, AS, Lamb, JP, Menon, UN, Jadhav, SB, Kane, AS, Jones, CK, Gregory, KJ, Niswender, CM, Conn, PJ, Olsen, CM, Winder, DG, Emmitte, KA, Lindsley, CW. Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptora??5 (mGlua??): from an artificial neural network virtual screen to an in vivo tool compound. ChemMedChem, 7(3), 406-14, 2012

Morrison, RD, Blobaum, AL, Byers, FW, Santomango, TS, Bridges, TM, Stec, D, Brewer, KA, Sanchez-Ponce, R, Corlew, MM, Rush, R, Felts, AS, Manka, J, Bates, BS, Venable, DF, Rodriguez, AL, Jones, CK, Niswender, CM, Conn, PJ, Lindsley, CW, Emmitte, KA, Daniels, JS. The Role of Aldehyde Oxidase and Xanthine Oxidase in the Biotransformation of a Novel Negative Allosteric Modulator of mGlu5. Drug Metab Dispos, 2012

Theriault, JR, Felts, AS, Bates, BS, Perez, JR, Palmer, M, Gilbert, SR, Dawson, ES, Engers, JL, Lindsley, CW, Emmitte, KA. Discovery of a new molecular probe ML228: an activator of the hypoxia inducible factor (HIF) pathway. Bioorg Med Chem Lett, 22(1), 76-81, 2012

Lindsley, CW, Bates, BS, Menon, UN, Jadhav, SB, Kane, AS, Jones, CK, Rodriguez, AL, Conn, PJ, Olsen, CM, Winder, DG, Emmitte, KA. (3-Cyano-5-fluorophenyl)biaryl negative allosteric modulators of mGlu(5): Discovery of a new tool compound with activity in the OSS mouse model of addiction. ACS Chem Neurosci, 2(8), 471-482, 2011

Emmitte, KA. Recent advances in the design and development of novel negative allosteric modulators of mGlu(5). ACS Chem Neurosci, 2(8), 411-432, 2011

Felts, AS, Lindsley, SR, Lamb, JP, Rodriguez, AL, Menon, UN, Jadhav, S, Jones, CK, Conn, PJ, Lindsley, CW, Emmitte, KA. 3-Cyano-5-fluoro-N-arylbenzamides as negative allosteric modulators of mGlu(5): Identification of easily prepared tool compounds with CNS exposure in rats. Bioorg Med Chem Lett, 20(15), 4390-4, 2010

Sabbatini, P, Rowand, JL, Groy, A, Korenchuk, S, Liu, Q, Atkins, C, Dumble, M, Yang, J, Anderson, K, Wilson, BJ, Emmitte, KA, Rabindran, SK, Kumar, R. Antitumor activity of GSK1904529A, a small-molecule inhibitor of the insulin-like growth factor-I receptor tyrosine kinase. Clin Cancer Res, 15(9), 3058-67, 2009

Crimmins, MT, Ellis, JM, Emmitte, KA, Haile, PA, McDougall, PJ, Parrish, JD, Zuccarello, JL. Enantioselective total synthesis of brevetoxin A: unified strategy for the B, E, G, and J subunits. Chemistry, 15(36), 9223-34, 2009

Emmitte, KA, Andrews, CW, Badiang, JG, Davis-Ward, RG, Dickson, HD, Drewry, DH, Emerson, HK, Epperly, AH, Hassler, DF, Knick, VB, Kuntz, KW, Lansing, TJ, Linn, JA, Mook, RA, Nailor, KE, Salovich, JM, Spehar, GM, Cheung, M. Discovery of thiophene inhibitors of polo-like kinase. Bioorg Med Chem Lett, 19(3), 1018-21, 2009

Emmitte, KA, Wilson, BJ, Baum, EW, Emerson, HK, Kuntz, KW, Nailor, KE, Salovich, JM, Smith, SC, Cheung, M, Gerding, RM, Stevens, KL, Uehling, DE, Mook, RA, Moorthy, GS, Dickerson, SH, Hassell, AM, Leesnitzer, MA, Shewchuk, LM, Groy, A, Rowand, JL, Anderson, K, Atkins, CL, Yang, J, Sabbatini, P, Kumar, R. Discovery and optimization of imidazo[1,2-a]pyridine inhibitors of insulin-like growth factor-1 receptor (IGF-1R). Bioorg Med Chem Lett, 19(3), 1004-8, 2009

Felts, AS, Saleh, SA, Le, U, Rodriguez, AL, Weaver, CD, Conn, PJ, Lindsley, CW, Emmitte, KA. Discovery and SAR of 6-substituted-4-anilinoquinazolines as non-competitive antagonists of mGlu5. Bioorg Med Chem Lett, 19(23), 6623-6, 2009

Lindsley, CW, Emmitte, KA. Recent progress in the discovery and development of negative allosteric modulators of mGluR5. Curr Opin Drug Discov Devel, 12(4), 446-57, 2009

Crimmins, MT, Zuccarello, JL, Ellis, JM, McDougall, PJ, Haile, PA, Parrish, JD, Emmitte, KA. Total synthesis of brevetoxin A. Org Lett, 11(2), 489-92, 2009

Emmitte, KA, Adjabeng, GM, Adjebang, GM, Andrews, CW, Alberti, JG, Bambal, R, Chamberlain, SD, Davis-Ward, RG, Dickson, HD, Hassler, DF, Hornberger, KR, Jackson, JR, Kuntz, KW, Lansing, TJ, Mook, RA, Nailor, KE, Pobanz, MA, Smith, SC, Sung, CM, Cheung, M. Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding. Bioorg Med Chem Lett, 19(6), 1694-7, 2009

Lansing, TJ, McConnell, RT, Duckett, DR, Spehar, GM, Knick, VB, Hassler, DF, Noro, N, Furuta, M, Emmitte, KA, Gilmer, TM, Mook, RA, Cheung, M. In vitro biological activity of a novel small-molecule inhibitor of polo-like kinase 1. Mol Cancer Ther, 6(2), 450-9, 2007

Crimmins, MT, McDougall, PJ, Emmitte, KA. A convergent coupling strategy for the formation of polycyclic ethers: stereoselective synthesis of the BCDE fragment of brevetoxin A. Org Lett, 7(18), 4033-6, 2005

Crimmins, MT, Emmitte, KA. Asymmetric total synthesis of (-)-isolaurallene. J Am Chem Soc, 123(7), 1533-4, 2001

Crimmins, MT, Emmitte, KA, Katz, JD. Diastereoselective alkylations of oxazolidinone glycolates: a useful extension of the Evans asymmetric alkylation. Org Lett, 2(14), 2165-7, 2000

Crimmins, MT, Emmitte, KA. Total synthesis of (+)-laurencin: an asymmetric alkylation-ring-closing metathesis approach to medium ring ethers. Org Lett, 1(12), 2029-32, 1999