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Volumn 18, Issue 2, 1999, Pages 134-138

Computer modeling of the rate of glycine conjugation of some benzoic acid derivatives: A QSAR study

Author keywords

Benzoic acids; Computer modeling; Glycine conjugation; Multiple linear regression

Indexed keywords

AMINO ACIDS; BENZOIC ACID; COMPUTATIONAL CHEMISTRY;

EID: 0033019952     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3838(199906)18:2<134::AID-QSAR134>3.0.CO;2-3     Document Type: Article
Times cited : (4)

References (19)
  • 1
    • 0003891953 scopus 로고
    • Ariens, E.J., (Ed). Academic Press: New York
    • Hansch, C., In: Ariens, E.J., (Ed). Drug Design. Academic Press: New York, 1971, Vol. 1.
    • (1971) Drug Design , vol.1
    • Hansch, C.1
  • 2
    • 0030221875 scopus 로고    scopus 로고
    • Multivariate design and modeling in QSAR
    • Lenart, E. and Erike, J., Multivariate Design and Modeling in QSAR, Chemom. Intell. Lab. Syst. 34(1), 1-19 (1996).
    • (1996) Chemom. Intell. Lab. Syst. , vol.34 , Issue.1 , pp. 1-19
    • Lenart, E.1    Erike, J.2
  • 7
    • 0025158257 scopus 로고
    • Glycine conjugation of the substituted benzoic acids in vitro structure-metabolism relationship study
    • Kasuya, F., Igarashi, K. and Fukui, M., Glycine Conjugation of the Substituted Benzoic Acids in Vitro Structure-Metabolism Relationship Study. J. Pharmacobiol. Dyn. 13, 432-440 (1990).
    • (1990) J. Pharmacobiol. Dyn. , vol.13 , pp. 432-440
    • Kasuya, F.1    Igarashi, K.2    Fukui, M.3
  • 9
    • 0020735704 scopus 로고
    • Prediction of gas chromatographic retention indexes with topological, physicochemical, and quantum chemical parameters
    • Buydens, L., Massart, D.L. and Geerlings, P., Prediction of Gas Chromatographic Retention Indexes with Topological, Physicochemical, and Quantum Chemical Parameters. Anal. Chem., 55, 738-744 (1983).
    • (1983) Anal. Chem. , vol.55 , pp. 738-744
    • Buydens, L.1    Massart, D.L.2    Geerlings, P.3
  • 12
    • 0002233999 scopus 로고
    • A simple method for the representation, quantification, and comparison of volumes and shapes of chemical compounds
    • Stouch, T.R. and Jurs, P.C. A Simple Method for the Representation, Quantification, and Comparison of Volumes and Shapes of Chemical Compounds. J. Chem. Inf. Comput. Sci., 26, 4-12 (1986).
    • (1986) J. Chem. Inf. Comput. Sci. , vol.26 , pp. 4-12
    • Stouch, T.R.1    Jurs, P.C.2
  • 13
    • 45949120296 scopus 로고
    • Descriptions of molecular shape applied in studies of structure-activity and structure-property
    • Rohrbaugh, R. H. and Jurs, P. C. Descriptions of Molecular Shape Applied in Studies of Structure-Activity and Structure-Property. Anal. Chim. Acta. 199, 99-109 (1987).
    • (1987) Anal. Chim. Acta , vol.199 , pp. 99-109
    • Rohrbaugh, R.H.1    Jurs, P.C.2
  • 15
    • 0003891953 scopus 로고
    • Academic Press: New York
    • Ariens, E.J., Drug Design. Academic Press: New York, Vol VII, 1979.
    • (1979) Drug Design , vol.7
    • Ariens, E.J.1
  • 16
    • 0026662746 scopus 로고
    • Energy aspects of oil/water partition leading to the novel hydrophobic parameters for the analysis of quantitative structure-activity relationships
    • Da, Y.Zh, Ito, K. and Fujiwara, H., Energy Aspects of Oil/Water Partition Leading to the Novel Hydrophobic Parameters for the Analysis of Quantitative Structure-Activity Relationships, J. Med. Chem. 35, 3382-3387 (1992).
    • (1992) J. Med. Chem. , vol.35 , pp. 3382-3387
    • Da, Y.Zh.1    Ito, K.2    Fujiwara, H.3
  • 17
    • 34247397180 scopus 로고    scopus 로고
    • U.S., Air force Academy, Colorado Spring, Co. 80840
    • MOPAC pakage, Version 6, U.S., Air force Academy, Colorado Spring, Co. 80840.
    • MOPAC Pakage, Version 6
  • 18
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R.D., III, Patterson, E. and Bunce, J.D., Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins. J. Am. Chem. Soc. 110, 5959-5967 (1988).
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer R.D. III1    Patterson, E.2    Bunce, J.D.3
  • 19
    • 0027363642 scopus 로고
    • QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods
    • Good, A.C., Peterson, S.J. and Richards, W.G., QSAR's from Similarity Matrices. Technique Validation and Application in the Comparison of Different Similarity Evaluation Methods. J. Med. Chem. 36, 2929-2937 (1993).
    • (1993) J. Med. Chem. , vol.36 , pp. 2929-2937
    • Good, A.C.1    Peterson, S.J.2    Richards, W.G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.