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Publikationer i urvalet

50 träffar

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 2010-09-28

Design, synthesis and structure-activity relationship of novel quinoxalin-2-carboxamides as 5-HT3 receptor antagonists for the management of depression.

Mahesh R, Devadoss T, Pandey DK, Bhatt S, Yadav SK.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2010.08.128

Bibliografisk träff 2010-09-16

Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists.

Yang Z, Fairfax DJ, Maeng JH, Masih L, Usyatinsky A, Hassler C, Isaacson S, Fitzpatrick K, DeOrazio RJ, Chen J, Harding JP, Isherwood M, Dobritsa S, Christensen KL, Wierschke JD, Bliss BI, Peterson LH, Beer CM, Cioffi C, Lynch M, Rennells WM, Richards JJ, Rust T, Khmelnitsky YL, Cohen ML, Manning DD.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2010.09.038

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 2009-12-21

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 2008-09-13

Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1.

Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R, Matsson P, Norinder U, Bergström CA, Artursson P.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm8003152

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 2008-04-21

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 2005-06-01

A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.

Tobita M, Nishikawa T, Nagashima R.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2005.03.080

Bibliografisk träff 2004-12-01

Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.

Matthews EJ, Kruhlak NL, Weaver JL, Benz RD, Contrera JF.

Curr Drug Discov Technol · journal article · DOI 10.2174/1570163043334794

Bibliografisk träff 2004-10-01

Microwave assisted synthesis of 2-(4-substituted piperazin-1-yl)-1,8-naphthyridine-3-carbonitrile as a new class of serotonin 5-HT3 receptor antagonists.

Mahesh R, Perumal RV, Pandi PV.

Bioorg Med Chem Lett · comparative study; journal article · DOI 10.1016/j.bmcl.2004.07.060

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 2004-04-01

Activity of alpha7-selective agonists at nicotinic and serotonin 5HT3 receptors expressed in Xenopus oocytes.

Papke RL, Porter Papke JK, Rose GM.

Bioorg Med Chem Lett · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1016/j.bmcl.2003.09.104

Bibliografisk träff 2003-10-01

Design and synthesis of new benzimidazole-arylpiperazine derivatives acting as mixed 5-HT1A/5-HT3 ligands.

López-Rodríguez ML, Benhamú B, Morcillo MJ, Tejada I, Avila D, Marco I, Schiapparelli L, Frechilla D, Del Río J.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/s0960-894x(03)00706-6

Bibliografisk träff 2003-10-01

Identification and prediction of promiscuous aggregating inhibitors among known drugs.

Seidler J, McGovern SL, Doman TN, Shoichet BK.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, non-u.s. gov't; journal article · DOI 10.1021/jm030191r

Bibliografisk träff 2003-08-01

Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.

Keserü GM.

Bioorg Med Chem Lett · comparative study; journal article · DOI 10.1016/s0960-894x(03)00492-x

Bibliografisk träff 2003-02-01

Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity.

Hirokawa Y, Fujiwara I, Suzuki K, Harada H, Yoshikawa T, Yoshida N, Kato S.

J Med Chem · journal article · DOI 10.1021/jm020270n

Bibliografisk träff 2001-12-01

Cheminformatic models to predict binding affinities to human serum albumin.

Colmenarejo G, Alvarez-Pedraglio A, Lavandera JL.

J Med Chem · journal article · DOI 10.1021/jm010960b

Bibliografisk träff 2001-02-01

The 5-HT3 antagonist tropisetron (ICS 205-930) is a potent and selective alpha7 nicotinic receptor partial agonist.

Macor JE, Gurley D, Lanthorn T, Loch J, Mack RA, Mullen G, Tran O, Wright N, Gordon JC.

Bioorg Med Chem Lett · journal article · DOI 10.1016/s0960-894x(00)00670-3

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 2000-04-01

GABA-Activated ligand gated ion channels: medicinal chemistry and molecular biology.

Chebib M, Johnston GA.

J Med Chem · research support, non-u.s. gov't; review; journal article · DOI 10.1021/jm9904349

Bibliografisk träff 1999-12-01

Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors.

López-Rodríguez ML, Benhamú B, Morcillo MJ, Tejada ID, Orensanz L, Alfaro MJ, Martín MI.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm991076c

Bibliografisk träff 1999-10-01

Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies.

Campiani G, Morelli E, Gemma S, Nacci V, Butini S, Hamon M, Novellino E, Greco G, Cagnotto A, Goegan M, Cervo L, Dalla Valle F, Fracasso C, Caccia S, Mennini T.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm990151g

Bibliografisk träff 1998-03-01

A novel series of N-(hexahydro-1,4-diazepin-6-yl) and N-(hexahydroazepin- 3-yl)benzamides with high affinity for 5-HT3 and dopamine D2 receptors.

Hirokawa Y, Morie T, Yamazaki H, Yoshida N, Kato S.

Bioorg Med Chem Lett · journal article · DOI 10.1016/s0960-894x(98)00078-x

Bibliografisk träff 1998-01-01

5-HT3 antagonists derived from aminopyridazine-type muscarinic M1 agonists.

Rival Y, Hoffmann R, Didier B, Rybaltchenko V, Bourguignon JJ, Wermuth CG.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm9705418

Bibliografisk träff 1997-10-01

Phenylimidazolidin-2-one derivatives as selective 5-HT3 receptor antagonists and refinement of the pharmacophore model for 5-HT3 receptor binding.

Heidempergher F, Pillan A, Pinciroli V, Vaghi F, Arrigoni C, Bolis G, Caccia C, Dho L, McArthur R, Varasi M.

J Med Chem · journal article · DOI 10.1021/jm970060o

Bibliografisk träff 1996-06-01

P-glycoprotein in the blood-brain barrier of mice influences the brain penetration and pharmacological activity of many drugs.

Schinkel AH, Wagenaar E, Mol CA, van Deemter L.

J Clin Invest · research support, non-u.s. gov't; research-article; journal article · DOI 10.1172/jci118699

Bibliografisk träff 1995-07-01

Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies.

Anzini M, Cappelli A, Vomero S, Giorgi G, Langer T, Hamon M, Merahi N, Emerit BM, Cagnotto A, Skorupska M.

J Med Chem · comparative study; research support, non-u.s. gov't; journal article · DOI 10.1021/jm00014a021

Bibliografisk träff 1994-04-01

Synthesis of 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives with 5-HT3 antagonist and 5-HT4 agonist properties.

Monge A, Peña MC, Palop JA, Calderó JM, Roca J, García E, Romero G, del Río J, Lasheras B.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm00035a012