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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
1351998
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
1292009
Computer simulations of the solvatochromism of betaine-30
SR Mente, M Maroncelli
The Journal of Physical Chemistry B 103 (36), 7704-7719, 1999
1141999
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
882018
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
842011
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
772018
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
732018
A recursive-partitioning model for blood–brain barrier permeation
SR Mente*, F Lombardo
Journal of computer-aided molecular design 19 (7), 465-481, 2005
732005
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
672009
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
652017
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
382012
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
372017
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
372014
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
362013
The use of the R language for medicinal chemistry applications
S Mente, M Kuhn
Current Topics in Medicinal Chemistry 12 (18), 1957-1964, 2012
332012
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
312018
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
302017
ADME by computer
MD Wessel, S Mente
Annual Reports in Medicinal Chemistry 36, 257-266, 2001
262001
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
232012
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
222017
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