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Publikationer i urvalet

32 träffar

Bibliografisk träff 2023-07-19

A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.

Sutherland JJ, Yonchev D, Fekete A, Urban L.

Nat Commun · research support, non-u.s. gov't; research-article; journal article · DOI 10.1038/s41467-023-40064-9

Bibliografisk träff 2020-07-27

Structure-Activity Relationship Studies of Retro-1 Analogues against Shiga Toxin.

Abdelkafi H, Michau A, Pons V, Ngadjeua F, Clerget A, Ait Ouarab L, Buisson DA, Montoir D, Caramelle L, Gillet D, Barbier J, Cintrat JC.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/acs.jmedchem.0c00298

Bibliografisk träff 2016-03-03

DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.

Chen M, Suzuki A, Thakkar S, Yu K, Hu C, Tong W.

Drug Discov Today · review; journal article · DOI 10.1016/j.drudis.2016.02.015

Bibliografisk träff 2015-11-09

Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65.

Huang XP, Karpiak J, Kroeze WK, Zhu H, Chen X, Moy SS, Saddoris KA, Nikolova VD, Farrell MS, Wang S, Mangano TJ, Deshpande DA, Jiang A, Penn RB, Jin J, Koller BH, Kenakin T, Shoichet BK, Roth BL.

Nature · research support, non-u.s. gov't; research-article; journal article; research support, n.i.h., extramural · DOI 10.1038/nature15699

Bibliografisk träff 2014-12-17

A selective small molecule NOP (ORL-1 receptor) partial agonist for the treatment of anxiety.

Ross TM, Battista K, Bignan GC, Brenneman DE, Connolly PJ, Liu J, Middleton SA, Orsini M, Reitz AB, Rosenthal DI, Scott MK, Vaidya AH.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2014.12.015

Bibliografisk träff 2011-12-15

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W.

PLoS Comput Biol · research support, u.s. gov't, p.h.s.; research-article; journal article · DOI 10.1371/journal.pcbi.1002310

Bibliografisk träff 2011-01-31

Human pharmacokinetic prediction of UDP-glucuronosyltransferase substrates with an animal scale-up approach.

Deguchi T, Watanabe N, Kurihara A, Igeta K, Ikenaga H, Fusegawa K, Suzuki N, Murata S, Hirouchi M, Furuta Y, Iwasaki M, Okazaki O, Izumi T.

Drug Metab Dispos · evaluation study; journal article · DOI 10.1124/dmd.110.037457

Bibliografisk träff 2010-10-21

Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.

Alelyunas YW, Empfield JR, McCarthy D, Spreen RC, Bui K, Pelosi-Kilby L, Shen C.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2010.10.068

Bibliografisk träff 2010-02-06

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.

Prado-Prado FJ, García-Mera X, González-Díaz H.

Bioorg Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmc.2010.01.068

Bibliografisk träff 2010-02-01

Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.

Varma MV, Obach RS, Rotter C, Miller HR, Chang G, Steyn SJ, El-Kattan A, Troutman MD.

J Med Chem · journal article · DOI 10.1021/jm901371v

Bibliografisk träff 2009-08-01

Physicochemical determinants of human renal clearance.

Varma MV, Feng B, Obach RS, Troutman MD, Chupka J, Miller HR, El-Kattan A.

J Med Chem · journal article · DOI 10.1021/jm900403j

Bibliografisk träff 2008-07-26

First-principle, structure-based prediction of hepatic metabolic clearance values in human.

Li H, Sun J, Sui X, Liu J, Yan Z, Liu X, Sun Y, He Z.

Eur J Med Chem · journal article · DOI 10.1016/j.ejmech.2008.07.027

Bibliografisk träff 2008-06-06

Characterization of the drug binding specificity of rat liver fatty acid binding protein.

Chuang S, Velkov T, Horne J, Porter CJ, Scanlon MJ.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm701192w

Bibliografisk träff 2008-04-21

Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.

Obach RS, Lombardo F, Waters NJ.

Drug Metab Dispos · journal article · DOI 10.1124/dmd.108.020479

Bibliografisk träff 2008-04-09

Molecular characteristics for solid-state limited solubility.

Wassvik CM, Holmén AG, Draheim R, Artursson P, Bergström CA.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm701587d

Bibliografisk träff 2008-01-01

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Kruhlak NL, Choi SS, Contrera JF, Weaver JL, Willard JM, Hastings KL, Sancilio LF.

Toxicol Mech Methods · journal article · DOI 10.1080/15376510701857262

Bibliografisk träff 2007-04-24

Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.

Abraham MH, Ibrahim A, Acree WE.

Eur J Med Chem · journal article · DOI 10.1016/j.ejmech.2007.04.002

Bibliografisk träff 2005-01-12

UDP-glucuronosyltransferases and clinical drug-drug interactions.

Kiang TK, Ensom MH, Chang TK.

Pharmacol Ther · research support, non-u.s. gov't; review; journal article · DOI 10.1016/j.pharmthera.2004.10.013

Bibliografisk träff 2004-08-01

[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].

Biour M, Ben Salem C, Chazouillères O, Grangé JD, Serfaty L, Poupon R.

Gastroenterol Clin Biol · bibliography; journal article · DOI 10.1016/s0399-8320(04)95062-2

Bibliografisk träff 2004-02-01

Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.

Lombardo F, Obach RS, Shalaeva MY, Gao F.

J Med Chem · journal article · DOI 10.1021/jm030408h

Bibliografisk träff 2002-06-01

Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.

Lombardo F, Obach RS, Shalaeva MY, Gao F.

J Med Chem · journal article · DOI 10.1021/jm0200409

Bibliografisk träff 2001-07-01

ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds.

Lombardo F, Shalaeva MY, Tupper KA, Gao F.

J Med Chem · journal article · DOI 10.1021/jm0100990

Bibliografisk träff 2000-07-01

ElogPoct: a tool for lipophilicity determination in drug discovery.

Lombardo F, Shalaeva MY, Tupper KA, Gao F, Abraham MH.

J Med Chem · journal article · DOI 10.1021/jm0000822

Bibliografisk träff 2000-06-01

Prediction of drug solubility from Monte Carlo simulations.

Jorgensen WL, Duffy EM.

Bioorg Med Chem Lett · research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1016/s0960-894x(00)00172-4

Bibliografisk träff 2000-06-01

QSAR model for drug human oral bioavailability.

Yoshida F, Topliss JG.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm0000564

Bibliografisk träff 2000-01-01

Human UDP-glucuronosyltransferases: metabolism, expression, and disease.

Tukey RH, Strassburg CP.

Annu Rev Pharmacol Toxicol · research support, u.s. gov't, p.h.s.; research support, non-u.s. gov't; review; journal article · DOI 10.1146/annurev.pharmtox.40.1.581

Bibliografisk träff 1999-12-01

Combining in vitro and in vivo pharmacokinetic data for prediction of hepatic drug clearance in humans by artificial neural networks and multivariate statistical techniques.

Schneider G, Coassolo P, Lavé T.

J Med Chem · journal article · DOI 10.1021/jm991030j

Bibliografisk träff 1996-12-01

Genetic neural networks for quantitative structure-activity relationships: improvements and application of benzodiazepine affinity for benzodiazepine/GABAA receptors.

So SS, Karplus M.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm960536o

Bibliografisk träff 1995-02-01

Prediction of receptor properties and binding affinity of ligands to benzodiazepine/GABAA receptors using artificial neural networks.

Maddalena DJ, Johnston GA.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm00004a017

Bibliografisk träff 1984-12-01

Functional group contributions to drug-receptor interactions.

Andrews PR, Craik DJ, Martin JL.

J Med Chem · comparative study; journal article · DOI 10.1021/jm00378a021