1. Rzeszotarski WJ, Gibson RE, Eckelman WC, Simms DA, Jagoda EM, Ferreira NL, Reba RC.. (1982) Analogues of 3-quinuclidinyl benzilate., 25 (9): [PMID:7131491] [10.1021/jm00351a020] |
2. Chakrabarti JK, Hotten TM, Morgan SE, Pullar IA, Rackham DM, Risius FC, Wedley S, Chaney MO, Jones ND.. (1982) Effects of conformationally restricted 4-piperazinyl-10H-thienobenzodiazepine neuroleptics on central dopaminergic and cholinergic systems., 25 (10): [PMID:6128416] [10.1021/jm00352a007] |
3. Visser TJ, van Waarde A, Jansen TJ, Visser GM, van der Mark TW, Kraan J, Ensing K, Vaalburg W.. (1997) Stereoselective synthesis and biodistribution of potent [11C]-labeled antagonists for positron emission tomography imaging of muscarinic receptors in the airways., 40 (1): [PMID:9016336] [10.1021/jm960374w] |
4. Andrews PR, Craik DJ, Martin JL.. (1984) Functional group contributions to drug-receptor interactions., 27 (12): [PMID:6094812] [10.1021/jm00378a021] |
5. Mitch CH, Bymaster FP, Calligaro DO, Quimby SJ, Schoepp DD, Wong DT, Shannon HE. (1994) Muscarinic antagonist activity of 3-(5-alkoxy-oxazol-2-yl)-1,2,5,6-tetrahydropyridines., 4 (14): [10.1016/S0960-894X(00)80368-6] |
6. Atkinson ER, McRitchie-Ticknor DD, Harris LS, Archer S, Aceto MD, Pearl J, Luduena FP.. (1983) Parasympatholytic (anticholinergic) esters of the isomeric 2-tropanols. 2. Non-glycolates., 26 (12): [PMID:6644747] [10.1021/jm00366a023] |
7. Berardi F, Colabufo NA, Giudice G, Perrone R, Tortorella V, Govoni S, Lucchi L.. (1996) New sigma and 5-HT1A receptor ligands: omega-(tetralin-1-yl)-n-alkylamine derivatives., 39 (1): [PMID:8568804] [10.1021/jm950409c] |
8. Manetti D, Ghelardini C, Bartolini A, Bellucci C, Dei S, Galeotti N, Gualtieri F, Romanelli MN, Scapecchi S, Teodori E.. (2000) Design, synthesis, and preliminary pharmacological evaluation of 1, 4-diazabicyclo[4.3.0]nonan-9-ones as a new class of highly potent nootropic agents., 43 (10): [PMID:10821709] [10.1021/jm991170t] |
9. Cereda E, Ezhaya A, Gil Quintero M, Bellora E, Dubini E, Micheletti R, Schiavone A, Brambilla A, Schiavi GB, Donetti A.. (1990) Synthesis and biological evaluation of new antimuscarinic compounds with amidine basic centers. A useful bioisosteric replacement of classical cationic heads., 33 (8): [PMID:2374141] [10.1021/jm00170a010] |
10. Manetti D, Martini E, Ghelardini C, Dei S, Galeotti N, Guandalini L, Romanelli MN, Scapecchi S, Teodori E, Bartolini A, Gualtieri F.. (2003) 4-Aminopiperidine derivatives as a new class of potent cognition enhancing drugs., 13 (14): [PMID:12824022] [10.1016/s0960-894x(03)00437-2] |
11. Yoshida F, Topliss JG.. (2000) QSAR model for drug human oral bioavailability., 43 (13): [PMID:10891117] [10.1021/jm0000564] |
12. Bruno-Blanch L, Gálvez J, García-Domenech R.. (2003) Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity., 13 (16): [PMID:12873507] [10.1016/s0960-894x(03)00535-3] |
13. Geronikaki AA, Dearden JC, Filimonov D, Galaeva I, Garibova TL, Gloriozova T, Krajneva V, Lagunin A, Macaev FZ, Molodavkin G, Poroikov VV, Pogrebnoi SI, Shepeli F, Voronina TA, Tsitlakidou M, Vlad L.. (2004) Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation., 47 (11): [PMID:15139765] [10.1021/jm031086k] |
14. Butler DE, Poschel BP, Marriott JG.. (1981) Cognition-activating properties of 3-(Aryloxy)pyridines., 24 (3): [PMID:7265121] [10.1021/jm00135a020] |
15. Kawakubo H, Takagi S, Yamaura Y, Katoh S, Ishimoto Y, Nagatani T, Mochizuki D, Kamata T, Sasaki Y.. (1993) (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment., 36 (23): [PMID:7902439] [10.1021/jm00075a006] |
16. McNeal ET, Lewandowski GA, Daly JW, Creveling CR.. (1985) [3H]Batrachotoxinin A 20 alpha-benzoate binding to voltage-sensitive sodium channels: a rapid and quantitative assay for local anesthetic activity in a variety of drugs., 28 (3): [PMID:2579237] [10.1021/jm00381a019] |
17. Pinza M, Farina C, Cerri A, Pfeiffer U, Riccaboni MT, Banfi S, Biagetti R, Pozzi O, Magnani M, Dorigotti L.. (1993) Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers., 36 (26): [PMID:8277504] [10.1021/jm00078a011] |
18. Colmenarejo G, Alvarez-Pedraglio A, Lavandera JL.. (2001) Cheminformatic models to predict binding affinities to human serum albumin., 44 (25): [PMID:11728183] [10.1021/jm010960b] |
19. Manetti D, Ghelardini C, Bartolini A, Dei S, Galeotti N, Gualtieri F, Romanelli MN, Teodori E.. (2000) Molecular simplification of 1,4-diazabicyclo[4.3.0]nonan-9-ones gives piperazine derivatives that maintain high nootropic activity., 43 (23): [PMID:11087574] [10.1021/jm000972h] |
20. Klein JT, Davis L, Olsen GE, Wong GS, Huger FP, Smith CP, Petko WW, Cornfeldt M, Wilker JC, Blitzer RD, Landau E, Haroutunian V, Martin LL, Effland RC.. (1996) Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease., 39 (2): [PMID:8558529] [10.1021/jm9506433] |
21. Paula S, Tabet MR, Farr CD, Norman AB, Ball WJ.. (2004) Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody., 47 (1): [PMID:14695827] [10.1021/jm030351z] |
22. Sadashiva CT, Narendra Sharath Chandra JN, Ponnappa KC, Veerabasappa Gowda T, Rangappa KS.. (2006) Synthesis and efficacy of 1-[bis(4-fluorophenyl)-methyl]piperazine derivatives for acetylcholinesterase inhibition, as a stimulant of central cholinergic neurotransmission in Alzheimer's disease., 16 (15): [PMID:16735118] [10.1016/j.bmcl.2006.05.030] |
23. Baert B, Deconinck E, Van Gele M, Slodicka M, Stoppie P, Bodé S, Slegers G, Vander Heyden Y, Lambert J, Beetens J, De Spiegeleer B.. (2007) Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds., 15 (22): [PMID:17827020] [10.1016/j.bmc.2007.07.050] |
24. Bard B, Carrupt PA, Martel S.. (2009) Lipophilicity of basic drugs measured by hydrophilic interaction chromatography., 52 (10): [PMID:19397318] [10.1021/jm9003945] |
25. Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R, Matsson P, Norinder U, Bergström CA, Artursson P.. (2008) Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1., 51 (19): [PMID:18788725] [10.1021/jm8003152] |
26. Both FL, Meneghini L, Kerber VA, Henriques AT, Elisabetsky E.. (2005) Psychopharmacological profile of the alkaloid psychollatine as a 5HT2A/C serotonin modulator., 68 (3): [PMID:15787439] [10.1021/np049695y] |
27. Alimuddin M, Grant D, Bulloch D, Lee N, Peacock M, Dahl R.. (2008) Determination of log D via automated microfluidic liquid-liquid extraction., 51 (16): [PMID:18666772] [10.1021/jm8005228] |
28. Verma SM, Razdan BK, Sasmal D.. (2009) 3D-QSAR study of 8-azabicyclo[3.2.1] octane analogs antagonists of cholinergic receptor., 19 (11): [PMID:19419864] [10.1016/j.bmcl.2009.03.164] |
29. Varma MV, Obach RS, Rotter C, Miller HR, Chang G, Steyn SJ, El-Kattan A, Troutman MD.. (2010) Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination., 53 (3): [PMID:20070106] [10.1021/jm901371v] |
30. Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.. (2009) Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain., 17 (19): [PMID:19734051] [10.1016/j.bmc.2009.08.022] |
31. Guerra A, Campillo NE, Páez JA.. (2010) Neural computational prediction of oral drug absorption based on CODES 2D descriptors., 45 (3): [PMID:20022146] [10.1016/j.ejmech.2009.11.034] |
32. Chaudhaery SS, Roy KK, Shakya N, Saxena G, Sammi SR, Nazir A, Nath C, Saxena AK.. (2010) Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology., 53 (17): [PMID:20684567] [10.1021/jm100573q] |
33. Obach RS, Lombardo F, Waters NJ.. (2008) Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds., 36 (7): [PMID:18426954] [10.1124/dmd.108.020479] |
34. Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena A.. (2011) QSAR-based permeability model for drug-like compounds., 19 (8): [PMID:21458999] [10.1016/j.bmc.2011.03.011] |
35. Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W.. (2011) Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps)., 7 (12): [PMID:22194678] [10.1371/journal.pcbi.1002310] |
36. Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.. (2002) Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs., 303 (1): [PMID:12438524] [10.1124/jpet.102.039255] |
37. Noorizadeh H, Noorizadeh M, Farmany A. (2012) Advanced QSRR models of toxicological screening of basic drugs in whole blood by UPLC-TOFMS, 21 (12): [10.1007/s00044-012-9977-1] |
38. Zheng G, Smith AM, Huang X, Subramanian KL, Siripurapu KB, Deaciuc A, Zhan CG, Dwoskin LP.. (2013) Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists., 56 (4): [PMID:23379472] [10.1021/jm301774u] |
39. De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP.. (2013) Structure-based identification of OATP1B1/3 inhibitors., 83 (6): [PMID:23571415] [10.1124/mol.112.084152] |
40. Atkinson ER, McRitchie DD, Shoer LF, Harris LS, Archer S, Aceto MD, Pearl J, Luduena FP.. (1977) Parasympatholytic (anticholinergic) esters of the isomeric 2-tropanols. 1. Glycolates., 20 (12): [PMID:592326] [10.1021/jm00222a015] |
41. Bonifazi A, Yano H, Del Bello F, Farande A, Quaglia W, Petrelli R, Matucci R, Nesi M, Vistoli G, Ferré S, Piergentili A.. (2014) Synthesis and biological evaluation of a novel series of heterobivalent muscarinic ligands based on xanomeline and 1-[3-(4-butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1)., 57 (21): [PMID:25275964] [10.1021/jm501173q] |
42. Schmitz J, van der Mey D, Bermudez M, Klöckner J, Schrage R, Kostenis E, Tränkle C, Wolber G, Mohr K, Holzgrabe U.. (2014) Dualsteric muscarinic antagonists--orthosteric binding pose controls allosteric subtype selectivity., 57 (15): [PMID:25051097] [10.1021/jm500790x] |
43. Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.. (2016) Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease., 123 [PMID:27484514] [10.1016/j.ejmech.2016.07.052] |
44. Warner DJ, Chen H, Cantin LD, Kenna JG, Stahl S, Walker CL, Noeske T.. (2012) Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification., 40 (12): [PMID:22961681] [10.1124/dmd.112.047068] |
45. Chen M, Suzuki A, Thakkar S, Yu K, Hu C, Tong W.. (2016) DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans., 21 (4): [PMID:26948801] [10.1016/j.drudis.2016.02.015] |
46. Del Bello F, Bonifazi A, Giorgioni G, Cifani C, Micioni Di Bonaventura MV, Petrelli R, Piergentili A, Fontana S, Mammoli V, Yano H, Matucci R, Vistoli G, Quaglia W.. (2018) 1-[3-(4-Butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1) as a Model for the Rational Design of a Novel Class of Brain Penetrant Ligands with High Affinity and Selectivity for Dopamine D4 Receptor., 61 (8): [PMID:29589445] [10.1021/acs.jmedchem.8b00265] |