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Publikationer i urvalet

37 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 2023-02-28

Structural Dynamics-Driven Discovery of Anticancer and Antimetastatic Effects of Diltiazem and Glibenclamide Targeting Urokinase Receptor.

Zhou Y, Song M, Xie D, Yan S, Yu S, Xie S, Cai M, Li H, Shang L, Jiang L, Yuan C, Huang M, Li J, Xu P.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/acs.jmedchem.2c01663

Bibliografisk träff 2022-01-12

Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.

Thabault L, Brustenga C, Savoyen P, Van Gysel M, Wouters J, Sonveaux P, Frédérick R, Liberelle M.

Eur J Med Chem · journal article · DOI 10.1016/j.ejmech.2022.114102

Bibliografisk träff 2021-12-21

Inhibition of N-type calcium ion channels by tricyclic antidepressants - experimental and theoretical justification for their use for neuropathic pain.

Cardoso FC, Schmit M, Kuiper MJ, Lewis RJ, Tuck KL, Duggan PJ.

RSC Med Chem · research-article; journal article · DOI 10.1039/d1md00331c

Bibliografisk träff 2016-06-30

Development of a cell viability assay to assess drug metabolite structure-toxicity relationships.

Rana P, Will Y, Nadanaciva S, Jones LH.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2016.06.088

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 2015-08-08

Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.

Berger ML, Rebernik P.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2015.08.017

Bibliografisk träff 2013-11-19

Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.

Settimo L, Bellman K, Knegtel RM.

Pharm Res · comparative study; journal article · DOI 10.1007/s11095-013-1232-z

Bibliografisk träff 2013-11-09

Synthesis and antiproliferative action of a novel series of maprotiline analogues.

McNamara YM, Bright SA, Byrne AJ, Cloonan SM, McCabe T, Williams DC, Meegan MJ.

Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2013.10.076

Bibliografisk träff 2013-08-16

A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.

Toxicol Sci · journal article · DOI 10.1093/toxsci/kft176

Bibliografisk träff 2012-09-19

Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.

Sakatis MZ, Reese MJ, Harrell AW, Taylor MA, Baines IA, Chen L, Bloomer JC, Yang EY, Ellens HM, Ambroso JL, Lovatt CA, Ayrton AD, Clarke SE.

Chem Res Toxicol · journal article · DOI 10.1021/tx300075j

Bibliografisk träff 2012-07-03

Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment.

Wiśniowska B, Mendyk A, Fijorek K, Glinka A, Polak S.

J Appl Toxicol · comparative study; research support, non-u.s. gov't; validation study; journal article · DOI 10.1002/jat.2784

Bibliografisk träff 2012-01-04

In silico assay for assessing phospholipidosis potential of small druglike molecules: training, validation, and refinement using several data sets.

Fischer H, Atzpodien EA, Csato M, Doessegger L, Lenz B, Schmitt G, Singer T.

J Med Chem · validation study; journal article · DOI 10.1021/jm201082a

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 2011-05-20

FDA-approved drug labeling for the study of drug-induced liver injury.

Chen M, Vijay V, Shi Q, Liu Z, Fang H, Tong W.

Drug Discov Today · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1016/j.drudis.2011.05.007

Bibliografisk träff 2010-09-15

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Ekins S, Williams AJ, Xu JJ.

Drug Metab Dispos · journal article · DOI 10.1124/dmd.110.035113

Bibliografisk träff 2010-09-10

Predicting phospholipidosis using machine learning.

Lowe R, Glen RC, Mitchell JB.

Mol Pharm · research support, non-u.s. gov't; research-article; journal article · DOI 10.1021/mp100103e

Bibliografisk träff 2010-09-09

Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.

Morgan RE, Trauner M, van Staden CJ, Lee PH, Ramachandran B, Eschenberg M, Afshari CA, Qualls CW, Lightfoot-Dunn R, Hamadeh HK.

Toxicol Sci · journal article · DOI 10.1093/toxsci/kfq269

Bibliografisk träff 2010-08-06

QSAR-based solubility model for drug-like compounds.

Gozalbes R, Pineda-Lucena A.

Bioorg Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmc.2010.08.003

Bibliografisk träff 2010-07-01

Developing structure-activity relationships for the prediction of hepatotoxicity.

Greene N, Fisk L, Naven RT, Note RR, Patel ML, Pelletier DJ.

Chem Res Toxicol · journal article · DOI 10.1021/tx1000865

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 2009-09-18

Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.

Heffernan GD, Coghlan RD, Manas ES, McDevitt RE, Li Y, Mahaney PE, Robichaud AJ, Huselton C, Alfinito P, Bray JA, Cosmi SA, Johnston GH, Kenney T, Koury E, Winneker RC, Deecher DC, Trybulski EJ.

Bioorg Med Chem · journal article · DOI 10.1016/j.bmc.2009.09.023

Bibliografisk träff 2009-03-01

Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.

Wan H, Ahman M, Holmén AG.

J Med Chem · journal article · DOI 10.1021/jm801441s

Bibliografisk träff 2009-01-01

Metabolic soft spot identification and compound optimization in early discovery phases using MetaSite and LC-MS/MS validation.

Trunzer M, Faller B, Zimmerlin A.

J Med Chem · validation study; journal article · DOI 10.1021/jm8008663

Bibliografisk träff 2008-09-07

Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics.

von Coburg Y, Kottke T, Weizel L, Ligneau X, Stark H.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2008.09.012

Bibliografisk träff 2008-05-06

Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).

Pedersen JM, Matsson P, Bergström CA, Norinder U, Hoogstraate J, Artursson P.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm7015683

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 2008-01-01

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 2007-11-21

Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.

Kornhuber J, Tripal P, Reichel M, Terfloth L, Bleich S, Wiltfang J, Gulbins E.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm070524a

Bibliografisk träff 2007-04-12

Evaluation of a published in silico model and construction of a novel Bayesian model for predicting phospholipidosis inducing potential.

Pelletier DJ, Gehlhaar D, Tilloy-Ellul A, Johnson TO, Greene N.

J Chem Inf Model · journal article · DOI 10.1021/ci6004542