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Publications in the selection

50 hits

Bibliografisk träff 2012-03-27

Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks.

Orr ST, Ripp SL, Ballard TE, Henderson JL, Scott DO, Obach RS, Sun H, Kalgutkar AS.

J Med Chem · review; journal article · DOI 10.1021/jm300065h

Bibliografisk träff 2011-12-21

Targeting the liver stage of malaria parasites: a yet unmet goal.

Rodrigues T, Prudêncio M, Moreira R, Mota MM, Lopes F.

J Med Chem · research support, non-u.s. gov't; review; journal article · DOI 10.1021/jm201095h

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 2011-11-17

Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study.

Farrell TL, Poquet L, Dew TP, Barber S, Williamson G.

Drug Metab Dispos · research support, non-u.s. gov't; validation study; journal article · DOI 10.1124/dmd.111.041665

Bibliografisk träff 2011-07-29

Synthesis and biological evaluation of 4-piperidinecarboxylate and 4-piperidinecyanide derivatives for T-type calcium channel blockers.

Woo HM, Lee YS, Roh EJ, Seo SH, Song CM, Chung HJ, Pae AN, Shin KJ.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2011.07.087

Bibliografisk träff 2011-07-29

Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives as novel antihypertensive agents.

Watanuki S, Matsuura K, Tomura Y, Okada M, Okazaki T, Ohta M, Tsukamoto S.

Bioorg Med Chem · journal article · DOI 10.1016/j.bmc.2011.07.030

Bibliografisk träff 2011-03-29

Mechanism-based inactivation of cytochrome P450 3A4 by mibefradil through heme destruction.

Foti RS, Rock DA, Pearson JT, Wahlstrom JL, Wienkers LC.

Drug Metab Dispos · journal article · DOI 10.1124/dmd.111.038505

Bibliografisk träff 2011-03-12

QSAR-based permeability model for drug-like compounds.

Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena A.

Bioorg Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmc.2011.03.011

Bibliografisk träff 2011-02-07

Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.

Mirams GR, Cui Y, Sher A, Fink M, Cooper J, Heath BM, McMahon NC, Gavaghan DJ, Noble D.

Cardiovasc Res · research support, non-u.s. gov't; research-article; journal article · DOI 10.1093/cvr/cvr044

Bibliografisk träff 2010-11-12

Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers.

Choi YH, Baek du J, Seo SH, Lee JK, Pae AN, Cho YS, Min SJ.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2010.11.033

Bibliografisk träff 2010-11-09

Prediction of drug intestinal absorption by new linear and non-linear QSPR.

Talevi A, Goodarzi M, Ortiz EV, Duchowicz PR, Bellera CL, Pesce G, Castro EA, Bruno-Blanch LE.

Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2010.11.005

Bibliografisk träff 2010-09-19

Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists.

Fritch PC, Krajewski J.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2010.09.098

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 2010-09-09

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 2010-07-01

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 2010-06-30

Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity.

Kam YL, Rhee HK, Rhim H, Back SK, Na HS, Choo HY.

Bioorg Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmc.2010.06.082

Bibliografisk träff 2010-05-15

Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers.

Lee JE, Koh HY, Seo SH, Baek YY, Rhim H, Cho YS, Choo H, Pae AN.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2010.05.030

Bibliografisk träff 2010-03-28

Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers.

Gu SJ, Lee JK, Pae AN, Chung HJ, Rhim H, Han SY, Min SJ, Cho YS.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2010.03.084

Bibliografisk träff 2009-12-21

Neural computational prediction of oral drug absorption based on CODES 2D descriptors.

Guerra A, Campillo NE, Páez JA.

Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2009.11.034

Bibliografisk träff 2009-08-19

Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain.

Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.

Bioorg Med Chem · research support, non-u.s. gov't; research-article; journal article; research support, n.i.h., extramural · DOI 10.1016/j.bmc.2009.08.022

Bibliografisk träff 2008-11-28

GRIND-based 3D-QSAR and CoMFA to investigate topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers.

Ermondi G, Visentin S, Caron G.

Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2008.11.009

Bibliografisk träff 2008-09-26

Discovery of 1,4-substituted piperidines as potent and selective inhibitors of T-type calcium channels.

Yang ZQ, Barrow JC, Shipe WD, Schlegel KA, Shu Y, Yang FV, Lindsley CW, Rittle KE, Bock MG, Hartman GD, Uebele VN, Nuss CE, Fox SV, Kraus RL, Doran SM, Connolly TM, Tang C, Ballard JE, Kuo Y, Adarayan ED, Prueksaritanont T, Zrada MM, Marino MJ, Graufelds VK, DiLella AG, Reynolds IJ, Vargas HM, Bunting PB, Woltmann RF, Magee MM, Koblan KS, Renger JJ.

J Med Chem · journal article · DOI 10.1021/jm800830n

Bibliografisk träff 2008-06-14

Synthesis and evaluation of alpha,alpha'-disubstituted phenylacetate derivatives for T-type calcium channel blockers.

Lee HK, Lee YS, Roh EJ, Rhim H, Lee JY, Shin KJ.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2008.06.037

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 2008-04-16

Support vector machines classification of hERG liabilities based on atom types.

Jia L, Sun H.

Bioorg Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmc.2008.04.028

Bibliografisk träff 2008-01-22

New active drugs against liver stages of Plasmodium predicted by molecular topology.

Mahmoudi N, Garcia-Domenech R, Galvez J, Farhati K, Franetich JF, Sauerwein R, Hannoun L, Derouin F, Danis M, Mazier D.

Antimicrob Agents Chemother · research support, non-u.s. gov't; research-article; journal article · DOI 10.1128/aac.01043-07

Bibliografisk träff 2007-12-03

Design and SAR of selective T-type calcium channel antagonists containing a biaryl sulfonamide core.

Hangeland JJ, Cheney DL, Friends TJ, Swartz S, Levesque PC, Rich AJ, Sun L, Bridal TR, Adam LP, Normandin DE, Murugesan N, Ewing WR.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2007.11.103

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 2007-09-01

Discovery of potent T-type calcium channel blocker.

Seo HN, Choi JY, Choe YJ, Kim Y, Rhim H, Lee SH, Kim J, Joo DJ, Lee JY.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2007.08.070

Bibliografisk träff 2007-05-31

Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.

Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.

J Med Chem · journal article · DOI 10.1021/jm0700565