Solvation and the excited-state tautomerization of 7-azaindole and 1-azacarbazole: computer simulations in water and alcohol solvents S Mente, M Maroncelli The Journal of Physical Chemistry A 102 (22), 3860-3876, 1998 | 139 | 1998 |
Discovery, SAR, and Pharmacokinetics of a Novel 3-Hydroxyquinolin-2(1H)-one Series of Potent d-Amino Acid Oxidase (DAAO) Inhibitors AJ Duplantier, SL Becker, MJ Bohanon, KA Borzilleri, BA Chrunyk, ... Journal of medicinal chemistry 52 (11), 3576-3585, 2009 | 137 | 2009 |
Computer simulations of the solvatochromism of betaine-30 SR Mente, M Maroncelli The Journal of Physical Chemistry B 103 (36), 7704-7719, 1999 | 113 | 1999 |
Impaired β-arrestin recruitment and reduced desensitization by non-catechol agonists of the D1 dopamine receptor DL Gray, JA Allen, S Mente, RE O’Connor, GJ DeMarco, I Efremov, ... Nature communications 9 (1), 674, 2018 | 97 | 2018 |
The Discovery of Two Clinical Histamine H3 Receptor Antagonists: trans-N-Ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl) phenyl] cyclobutanecarboxamide (PF-03654746) and … TT Wager, BA Pettersen, AW Schmidt, DK Spracklin, S Mente, TW Butler, ... Journal of Medicinal Chemistry 54 (21), 7602–7620, 2011 | 90 | 2011 |
Potent α-synuclein aggregation inhibitors, identified by high-throughput screening, mainly target the monomeric state M Kurnik, C Sahin, CB Andersen, N Lorenzen, L Giehm, ... Cell chemical biology 25 (11), 1389-1402. e9, 2018 | 81 | 2018 |
A recursive-partitioning model for blood–brain barrier permeation SR Mente*, F Lombardo Journal of computer-aided molecular design 19 (7), 465-481, 2005 | 76 | 2005 |
Discovery of trifluoromethyl glycol carbamates as potent and selective covalent monoacylglycerol lipase (MAGL) inhibitors for treatment of neuroinflammation LA McAllister, CR Butler, S Mente, SV O’Neil, KR Fonseca, JR Piro, ... Journal of medicinal chemistry 61 (7), 3008-3026, 2018 | 75 | 2018 |
Azetidine and piperidine carbamates as efficient, covalent inhibitors of monoacylglycerol lipase CR Butler, EM Beck, A Harris, Z Huang, LA McAllister, CW Am Ende, ... Journal of Medicinal Chemistry 60 (23), 9860-9873, 2017 | 70 | 2017 |
Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer’s disease CJ Helal, Z Kang, JC Lucas, T Gant, MK Ahlijanian, JB Schachter, ... Bioorganic & medicinal chemistry letters 19 (19), 5703-5707, 2009 | 68 | 2009 |
Mapping the Binding Site of BMS-708163 on γ-Secretase with Cleavable Photoprobes YML Natalya Gertsik, Christopher W. am Ende, Kieran F. Geoghegan, Chuong ... Cell Chemical Biology 24 (1), 3-8, 2017 | 41 | 2017 |
Casein kinase 1δ/ε inhibitor PF-5006739 attenuates opioid drug-seeking behavior TT Wager, RY Chandrasekaran, J Bradley, D Rubitski, H Berke, S Mente, ... ACS Chemical Neuroscience 5 (12), 1253-1265, 2014 | 40 | 2014 |
Ligand–protein interactions of selective casein kinase 1δ inhibitors S Mente, E Arnold, T Butler, S Chakrapani, R Chandrasekaran, K Cherry, ... Journal of Medicinal Chemistry 56 (17), 6819-6828, 2013 | 39 | 2013 |
Strategies to minimize CNS toxicity: in vitro high-throughput assays and computational modeling TT Wager, JL Liras, S Mente, P Trapa Expert Opinion on Drug Metabolism & Toxicology 8 (5), 531-542, 2012 | 38 | 2012 |
Discovery of 3-Cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally … ME Schnute, M Wennerstål, J Alley, M Bengtsson, JR Blinn, CW Bolten, ... Journal of Medicinal Chemistry 61 (23), 10415-10439, 2018 | 34 | 2018 |
The use of the R language for medicinal chemistry applications S Mente, M Kuhn Current Topics in Medicinal Chemistry 12 (18), 1957-1964, 2012 | 34 | 2012 |
Application of structure-based design and parallel chemistry to identify a potent, selective, and brain penetrant phosphodiesterase 2A inhibitor CJ Helal, EP Arnold, TL Boyden, C Chang, TA Chappie, KF Fennell, ... Journal of Medicinal Chemistry 60 (13), 5673-5698, 2017 | 30 | 2017 |
ADME by computer MD Wessel, S Mente Annual Reports in Medicinal Chemistry 36, 257-266, 2001 | 26 | 2001 |
Identification and profiling of a selective and brain penetrant radioligand for in vivo target occupancy measurement of casein kinase 1 (CK1) inhibitors TT Wager, P Galatsis, RY Chandrasekaran, TW Butler, J Li, L Zhang, ... ACS Chemical Neuroscience 8 (9), 1995-2004, 2017 | 23 | 2017 |
Measurement of Atropisomer Racemization Kinetics Using Segmented Flow Technology JE Davoren, MW Bundesmann, QT Yan, EM Collantes, SR Mente, ... ACS Medicinal Chemistry Letters 3 (5), 433-435, 2012 | 23 | 2012 |