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Volumn 1, Issue 4, 2004, Pages 381-387

In silico prediction of drug safety: Despite progress there is abundant room for improvement

Author keywords

[No Author keywords available]

Indexed keywords

3 METHYL 6 (3 TRIFLUOROMETHYLPHENYL) 1,2,4 TRIAZOLO[4,3 B]PYRIDAZINE; 4 IPOMEANOL; ANALGESIC AGENT; ANTIBIOTIC AGENT; ASTEMIZOLE; CISAPRIDE; CYTOCHROME P450; CYTOCHROME P450 3A4; DRUG; GREPAFLOXACIN; NICOTINE; NONSTEROID ANTIINFLAMMATORY AGENT; POTASSIUM CHANNEL HERG; SERTINDOLE; SPIRONOLACTONE; TERFENADINE;

EID: 13244277456     PISSN: 17406749     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ddtec.2004.11.002     Document Type: Review
Times cited : (60)

References (25)
  • 1
    • 0037204541 scopus 로고    scopus 로고
    • Computer systems for the prediction of toxicity: An update
    • N. Greene Computer systems for the prediction of toxicity: An update Adv. Drug Deliv. Rev. 54 2002 417-431
    • (2002) Adv. Drug Deliv. Rev. , vol.54 , pp. 417-431
    • Greene, N.1
  • 2
    • 2442548465 scopus 로고    scopus 로고
    • Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules
    • R.D. Snyder et al. Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules Environ. Mol. Mutagen. 43 2004 143-158
    • (2004) Environ. Mol. Mutagen. , vol.43 , pp. 143-158
    • Snyder, R.D.1
  • 3
    • 0034463184 scopus 로고    scopus 로고
    • Use of toxicological information in drug design
    • E.J. Matthews et al. Use of toxicological information in drug design J. Mol. Graphics Modell. 18 2000 605-615
    • (2000) J. Mol. Graphics Modell. , vol.18 , pp. 605-615
    • Matthews, E.J.1
  • 4
    • 0242624535 scopus 로고    scopus 로고
    • Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices
    • J.F. Contrera et al. Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices Regul. Toxicol. Pharmacol. 38 2003 243-259
    • (2003) Regul. Toxicol. Pharmacol. , vol.38 , pp. 243-259
    • Contrera, J.F.1
  • 5
    • 0035092543 scopus 로고    scopus 로고
    • Evaluation of the characteristics of safety withdrawal of prescription drugs from worldwide pharmaceutical markets - 1960 to 1999
    • M. Fung et al. Evaluation of the characteristics of safety withdrawal of prescription drugs from worldwide pharmaceutical markets - 1960 to 1999 Drug Inf. J. 35 2001 293-317
    • (2001) Drug Inf. J. , vol.35 , pp. 293-317
    • Fung, M.1
  • 6
    • 0031819810 scopus 로고    scopus 로고
    • Serum transaminase elevations as indicators of hepatic injury following the administration of drugs
    • D.E. Amacher Serum transaminase elevations as indicators of hepatic injury following the administration of drugs Regul. Toxicol. Pharmacol. 27 1998 119-130
    • (1998) Regul. Toxicol. Pharmacol. , vol.27 , pp. 119-130
    • Amacher, D.E.1
  • 7
    • 1942475425 scopus 로고    scopus 로고
    • In silico models for the prediction of dose-dependent human hepatotoxicity
    • A. Cheng S.L. Dixon In silico models for the prediction of dose-dependent human hepatotoxicity J. Comput. Aided Mol. Des. 17 2003 811-823
    • (2003) J. Comput. Aided Mol. Des. , vol.17 , pp. 811-823
    • Cheng, A.1    Dixon, S.L.2
  • 8
    • 2942585269 scopus 로고    scopus 로고
    • Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA
    • R.D. Clark et al. Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA J. Mol. Graphics Modell. 22 2004 487-497
    • (2004) J. Mol. Graphics Modell. , vol.22 , pp. 487-497
    • Clark, R.D.1
  • 9
    • 1542327276 scopus 로고    scopus 로고
    • Predicting undesirable drug interactions with promiscuous proteins in silico
    • S. Ekins Predicting undesirable drug interactions with promiscuous proteins in silico Drug Discov. Today 9 2004 276-285
    • (2004) Drug Discov. Today , vol.9 , pp. 276-285
    • Ekins, S.1
  • 10
    • 0033856020 scopus 로고    scopus 로고
    • Three- and four-dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors
    • S. Ekins et al. Three- and four-dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors Drug Metab. Dispos. 28 2000 994-1002
    • (2000) Drug Metab. Dispos. , vol.28 , pp. 994-1002
    • Ekins, S.1
  • 11
    • 0033011395 scopus 로고    scopus 로고
    • Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors
    • S. Ekins et al. Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors J. Pharmacol. Exp. Ther. 290 1999 429-438
    • (1999) J. Pharmacol. Exp. Ther. , vol.290 , pp. 429-438
    • Ekins, S.1
  • 12
    • 0141789965 scopus 로고    scopus 로고
    • QSAR analysis of the inhibition of recombinant CYP 3A4 activity by structurally diverse compounds using a genetic algorithm-combined partial least squares method
    • S. Wanchana et al. QSAR analysis of the inhibition of recombinant CYP 3A4 activity by structurally diverse compounds using a genetic algorithm-combined partial least squares method Pharm. Res. 20 2003 1401-1408
    • (2003) Pharm. Res. , vol.20 , pp. 1401-1408
    • Wanchana, S.1
  • 13
    • 0034950245 scopus 로고    scopus 로고
    • Development of a generalized, quantitative physicochemical model of CYP3A4 inhibition for use in early drug discovery
    • R.J. Riley et al. Development of a generalized, quantitative physicochemical model of CYP3A4 inhibition for use in early drug discovery Pharm. Res. 18 2001 652-655
    • (2001) Pharm. Res. , vol.18 , pp. 652-655
    • Riley, R.J.1
  • 14
    • 0344492207 scopus 로고    scopus 로고
    • Relationships between preclinical cardiac electrophysiology, clinical QT interval prolongation and torsade de pointes for a broad range of drugs: Evidence for a provisional safety margin in drug development
    • W.S. Redfern et al. Relationships between preclinical cardiac electrophysiology, clinical QT interval prolongation and torsade de pointes for a broad range of drugs: Evidence for a provisional safety margin in drug development Cardiovasc. Res. 58 2003 32-45
    • (2003) Cardiovasc. Res. , vol.58 , pp. 32-45
    • Redfern, W.S.1
  • 15
    • 0036229805 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel
    • S. Ekins et al. Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel J. Pharmacol. Exp. Ther. 301 2002 427-434
    • (2002) J. Pharmacol. Exp. Ther. , vol.301 , pp. 427-434
    • Ekins, S.1
  • 16
    • 0037194634 scopus 로고    scopus 로고
    • Toward a pharmacophore for drugs inducing the long QT syndrome: Insights from a CoMFA Study of HERG K+ channel blockers
    • A. Cavalli et al. Toward a pharmacophore for drugs inducing the long QT syndrome: Insights from a CoMFA Study of HERG K+ channel blockers J. Med. Chem. 45 2002 3844-3853
    • (2002) J. Med. Chem. , vol.45 , pp. 3844-3853
    • Cavalli, A.1
  • 17
    • 0038743107 scopus 로고    scopus 로고
    • Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches
    • R.A. Pearlstein et al. Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches Bioorg. Med. Chem. Lett. 13 2003 1829-1835
    • (2003) Bioorg. Med. Chem. Lett. , vol.13 , pp. 1829-1835
    • Pearlstein, R.A.1
  • 18
    • 4644299288 scopus 로고    scopus 로고
    • Physicochemical determinants for drug induced blockade of HERG potassium channels: Effect of charge and charge shielding
    • A.B. Zolotoy et al. Physicochemical determinants for drug induced blockade of HERG potassium channels: Effect of charge and charge shielding Curr. Med. Chem. Cardiovasc. Hematol. Agents 1 2003 225-241
    • (2003) Curr. Med. Chem. Cardiovasc. Hematol. Agents , vol.1 , pp. 225-241
    • Zolotoy, A.B.1
  • 19
    • 0041528452 scopus 로고    scopus 로고
    • HTS techniques to investigate the potential effects of compounds on cardiac ion channels at early-stages of drug discovery
    • R. Netzer et al. HTS techniques to investigate the potential effects of compounds on cardiac ion channels at early-stages of drug discovery Curr. Opin. Drug Discov. Dev. 6 2003 462-469
    • (2003) Curr. Opin. Drug Discov. Dev. , vol.6 , pp. 462-469
    • Netzer, R.1
  • 20
    • 12244257228 scopus 로고    scopus 로고
    • DSSTox web site launch: Improving public access to databases for building structure-toxicity prediction models
    • A.M. Richard DSSTox web site launch: Improving public access to databases for building structure-toxicity prediction models Preclinica 2 2004 103-108
    • (2004) Preclinica , vol.2 , pp. 103-108
    • Richard, A.M.1
  • 21
    • 0016350166 scopus 로고
    • Hepatic necrosis caused by furosemide
    • J.R. Mitchell et al. Hepatic necrosis caused by furosemide Nature 251 1974 508-511
    • (1974) Nature , vol.251 , pp. 508-511
    • Mitchell, J.R.1
  • 22
    • 0036127307 scopus 로고    scopus 로고
    • Biotransformation reactions of five-membered aromatic heterocyclic rings
    • D.K. Dalvie et al. Biotransformation reactions of five-membered aromatic heterocyclic rings Chem. Res. Toxicol. 15 2002 269-299
    • (2002) Chem. Res. Toxicol. , vol.15 , pp. 269-299
    • Dalvie, D.K.1
  • 23
    • 0035097161 scopus 로고    scopus 로고
    • Phase II study of 4-ipomeanol, a naturally occurring alkylating furan, in patients with advanced hepatocellular carcinoma
    • S. Lakhanpal et al. Phase II study of 4-ipomeanol, a naturally occurring alkylating furan, in patients with advanced hepatocellular carcinoma Invest. New Drugs 19 2001 69-76
    • (2001) Invest. New Drugs , vol.19 , pp. 69-76
    • Lakhanpal, S.1
  • 24
    • 1342310586 scopus 로고    scopus 로고
    • Mechanism-based inactivation of cytochrome P4503A4 by 4-ipomeanol
    • T.M. Alvarez-Diaz J.I. Zheng Mechanism-based inactivation of cytochrome P4503A4 by 4-ipomeanol Chem. Res. Toxicol. 17 2004 150-157
    • (2004) Chem. Res. Toxicol. , vol.17 , pp. 150-157
    • Alvarez-Diaz, T.M.1    Zheng, J.I.2
  • 25
    • 0023032088 scopus 로고
    • New benzodiazepine receptor ligands: Their pharmacological activities and therapeutic potential
    • E. Kyburz New benzodiazepine receptor ligands: Their pharmacological activities and therapeutic potential Pharmaceutisch Weekblad 121 1986 893-903
    • (1986) Pharmaceutisch Weekblad , vol.121 , pp. 893-903
    • Kyburz, E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.