메뉴 건너뛰기




Volumn 47, Issue 1, 2004, Pages 133-142

Three-Dimensional Quantitative Structure-Activity Relationship Modeling of Cocaine Binding by a Novel Human Monoclonal Antibody

Author keywords

[No Author keywords available]

Indexed keywords

BENZOYLECGONINE; CARBONYL DERIVATIVE; COCAINE; COCAINE DERIVATIVE; ECGONINE; ECGONINE METHYL ESTER; ESTER; HUMAN MONOCLONAL ANTIBODY; METHYL GROUP; NITROGEN; OXYGEN; PHENYL GROUP; PROTON; SOLVENT;

EID: 0346731232     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm030351z     Document Type: Article
Times cited : (64)

References (40)
  • 1
    • 0003956041 scopus 로고    scopus 로고
    • NIH Publication Number 99-4342; National Institutes of Health: Bethesda, MD
    • NIDA Research Report; NIH Publication Number 99-4342; National Institutes of Health: Bethesda, MD, 1999 (http:// www.nida.nih.gov/PDF/RRCocain.pdf).
    • (1999) Nida Research Report
  • 2
    • 0033615028 scopus 로고    scopus 로고
    • Pharmacotherapies for Treatment of Cocaine Abuse: Preclinical Aspects
    • Carroll, F. I.; Leonard, L. H.; Kuhar, M. J. Pharmacotherapies for Treatment of Cocaine Abuse: Preclinical Aspects. J. Med. Chem. 1999, 42, 2721-2736.
    • (1999) J. Med. Chem. , vol.42 , pp. 2721-2736
    • Carroll, F.I.1    Leonard, L.H.2    Kuhar, M.J.3
  • 3
    • 0007734705 scopus 로고    scopus 로고
    • Application of artificial enzymes to the problem of cocaine
    • De Prada, P.; Winger, G.; Landry, D. W. Application of artificial enzymes to the problem of cocaine. Ann. N. Y. Acad. Sci. 2000, 909, 159-169.
    • (2000) Ann. N. Y. Acad. Sci. , vol.909 , pp. 159-169
    • De Prada, P.1    Winger, G.2    Landry, D.W.3
  • 4
    • 0242669341 scopus 로고    scopus 로고
    • Fundamental reaction mechanism for cocaine hydrolysis in human butyryleholinesterase
    • Zhan, C.-G.; Zheng, F.; Landry, D. W. Fundamental reaction mechanism for cocaine hydrolysis in human butyryleholinesterase. J. Am. Chem. Soc. 2003, 125, 2462-2474.
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 2462-2474
    • Zhan, C.-G.1    Zheng, F.2    Landry, D.W.3
  • 5
    • 0033592132 scopus 로고    scopus 로고
    • Satiety threshold: A quantitative model of maintained cocaine self-administration
    • Tsibulsky, V. L.; Norman, A. B. Satiety threshold: a quantitative model of maintained cocaine self-administration. Brain Res. 1999, 839, 85-93.
    • (1999) Brain Res. , vol.839 , pp. 85-93
    • Tsibulsky, V.L.1    Norman, A.B.2
  • 6
    • 0033549240 scopus 로고    scopus 로고
    • Priming threshold: A novel quantitative measure of the reinstatement of cocaine self-administration
    • Norman, A. B.; Norman, M. K.; Hall, J. F.; Tsibulsky, V. L. Priming threshold: a novel quantitative measure of the reinstatement of cocaine self-administration. Brain. Res. 1999, 831, 165-174.
    • (1999) Brain. Res. , vol.831 , pp. 165-174
    • Norman, A.B.1    Norman, M.K.2    Hall, J.F.3    Tsibulsky, V.L.4
  • 7
    • 0037118943 scopus 로고    scopus 로고
    • Characterization of the distribution of the cocaine priming threshold and the effect of SCH23390
    • Norman, A. B.; Welge, J. A.; Tsibulsky, V. L. Characterization of the distribution of the cocaine priming threshold and the effect of SCH23390. Brain Res. 2002, 946, 253-261.
    • (2002) Brain Res. , vol.946 , pp. 253-261
    • Norman, A.B.1    Welge, J.A.2    Tsibulsky, V.L.3
  • 12
    • 0030796633 scopus 로고    scopus 로고
    • Active immunization with cocaine-protein conjugate attenuates cocaine effects
    • Ettinger, R. H.; Ettinger, W. F.; Harless, W. E. Active immunization with cocaine-protein conjugate attenuates cocaine effects. Pharmacol. Biochem. Behav. 1997, 58, 215-220.
    • (1997) Pharmacol. Biochem. Behav. , vol.58 , pp. 215-220
    • Ettinger, R.H.1    Ettinger, W.F.2    Harless, W.E.3
  • 13
    • 0034092902 scopus 로고    scopus 로고
    • Evaluation of anti-cocaine antibodies and a cocaine vaccine in a rat self-administration model
    • Kantak, K. M.; Collins, S. L.; Lipman, E. G.; Bond, J.; Giovanoni, K.; Fox, B. S. Evaluation of anti-cocaine antibodies and a cocaine vaccine in a rat self-administration model. Psychopharmacology 2000, 148, 251-262.
    • (2000) Psychopharmacology , vol.148 , pp. 251-262
    • Kantak, K.M.1    Collins, S.L.2    Lipman, E.G.3    Bond, J.4    Giovanoni, K.5    Fox, B.S.6
  • 21
  • 22
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R. D., III; Patterson, D. E.; Bunce, J. D. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer III, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 23
    • 0027944195 scopus 로고
    • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
    • Klebe, G.; Abraham, U.; Mietzner, T. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J. Med. Chem. 1994, 37, 4130-4146.
    • (1994) J. Med. Chem. , vol.37 , pp. 4130-4146
    • Klebe, G.1    Abraham, U.2    Mietzner, T.3
  • 26
    • 0018160396 scopus 로고
    • Cocaine plasma concentration: Relation to physiological and subjective effects in humans
    • Javaid, J. I.; Fischman, M. W.; Schuster, C. R.; Dekirmenjian, H.; Davis, J. M. Cocaine plasma concentration: relation to physiological and subjective effects in humans. Science 1978, 202, 227-228.
    • (1978) Science , vol.202 , pp. 227-228
    • Javaid, J.I.1    Fischman, M.W.2    Schuster, C.R.3    Dekirmenjian, H.4    Davis, J.M.5
  • 28
    • 0037130158 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship analysis of ligand binding to human sequence antidigoxin monoclonal antibodies using comparative molecular field analysis
    • Farr, C. D.; Tabet, M. R.; Ball, W. J., Jr.; Fishwild, D. M.; Wang, X.; Nair, A. C.; Welsh, W. J. Three-dimensional quantitative structure-activity relationship analysis of ligand binding to human sequence antidigoxin monoclonal antibodies using comparative molecular field analysis. J. Med. Chem. 2002, 45, 3257-3270.
    • (2002) J. Med. Chem. , vol.45 , pp. 3257-3270
    • Farr, C.D.1    Tabet, M.R.2    Ball Jr., W.J.3    Fishwild, D.M.4    Wang, X.5    Nair, A.C.6    Welsh, W.J.7
  • 29
    • 0347223189 scopus 로고    scopus 로고
    • Budavari, S., Ed.; Merck Research Laboratories: Whitehouse Station, NJ
    • The Merck Index, 12th ed.; Budavari, S., Ed.; Merck Research Laboratories: Whitehouse Station, NJ, 1996; pp 2517-2518.
    • (1996) The Merck Index, 12th Ed. , pp. 2517-2518
  • 31
    • 0037230101 scopus 로고    scopus 로고
    • Three-Dimensional Structure-Activity Relationship Modeling of Cocaine-Binding to Two Monoclonal Antibodies by Comparative Molecular Field Analysis
    • Paula, S.; Tabet, M. R.; Keenan, S. M.; Welsh, W. J.; Ball, W. J., Jr. Three-Dimensional Structure-Activity Relationship Modeling of Cocaine-Binding to Two Monoclonal Antibodies by Comparative Molecular Field Analysis. J. Mol. Biol. 2003, 325, 516-530.
    • (2003) J. Mol. Biol. , vol.325 , pp. 516-530
    • Paula, S.1    Tabet, M.R.2    Keenan, S.M.3    Welsh, W.J.4    Ball Jr., W.J.5
  • 32
    • 0029063953 scopus 로고
    • Cocaine and 3β-(4′-substituted phenyl)tropane-2β -carboxylic acid ester and amide analogues. New high-affinity and selective compounds for the dopamine transporter
    • Carroll, F. I.; Kotian, P.; Dehghani, A.; Gray, J. L.; Kuzemko, M. A.; Parham, K. A.; Abraham, P.; Lewin, A. H.; Boja, J. W.; Kuhar, M. J. Cocaine and 3β-(4′-substituted phenyl)tropane-2β-carboxylic acid ester and amide analogues. New high-affinity and selective compounds for the dopamine transporter. J. Med. Chem. 1995, 38, 379-388.
    • (1995) J. Med. Chem. , vol.38 , pp. 379-388
    • Carroll, F.I.1    Kotian, P.2    Dehghani, A.3    Gray, J.L.4    Kuzemko, M.A.5    Parham, K.A.6    Abraham, P.7    Lewin, A.H.8    Boja, J.W.9    Kuhar, M.J.10
  • 33
    • 0030605861 scopus 로고    scopus 로고
    • Design and synthesis of a cocaine-diamide hapten for vaccine development
    • Sakurai, M.; Wirsching, P.; Janda, K. D. Design and synthesis of a cocaine-diamide hapten for vaccine development. Tetrahedron Lett. 1996, 37, 5479-5482.
    • (1996) Tetrahedron Lett. , vol.37 , pp. 5479-5482
    • Sakurai, M.1    Wirsching, P.2    Janda, K.D.3
  • 36
    • 0000403996 scopus 로고
    • The crystal and molecular structure of l-cocaine hydrochloride
    • Gabe, E. J.; Barnes, W. H. The crystal and molecular structure of l-cocaine hydrochloride. Acta Crystallogr. 1963, 16, 796-801.
    • (1963) Acta Crystallogr. , vol.16 , pp. 796-801
    • Gabe, E.J.1    Barnes, W.H.2
  • 37
    • 0026009418 scopus 로고
    • Synthesis, ligand binding, QSAR, and CoMFA study of 3β -(p-substituted phenyl)tropane-2β-carboxylic acid methyl esters
    • Carroll, F. I.; Gao, Y. G.; Rahman, M. A.; Abraham, P.; Parham, K.; Lewin, A. H.; Boja, J. W.; Kuhar, M. J. Synthesis, ligand binding, QSAR, and CoMFA study of 3β-(p-substituted phenyl)tropane-2β-carboxylic acid methyl esters. J. Med. Chem. 1991, 34, 2719-2725.
    • (1991) J. Med. Chem. , vol.34 , pp. 2719-2725
    • Carroll, F.I.1    Gao, Y.G.2    Rahman, M.A.3    Abraham, P.4    Parham, K.5    Lewin, A.H.6    Boja, J.W.7    Kuhar, M.J.8
  • 38
    • 0033539136 scopus 로고    scopus 로고
    • CoMFA study of novel phenyl ring-substituted 3α -(diphenylmethoxy)tropane analogues at the dopamine transporter
    • Newman, A. H.; Izenwasser, S.; Robarge, M. J.; Kline, R. H. CoMFA study of novel phenyl ring-substituted 3α-(diphenylmethoxy)tropane analogues at the dopamine transporter. J. Med. Chem. 1999, 42, 3502-3509.
    • (1999) J. Med. Chem. , vol.42 , pp. 3502-3509
    • Newman, A.H.1    Izenwasser, S.2    Robarge, M.J.3    Kline, R.H.4
  • 39
    • 0033022163 scopus 로고    scopus 로고
    • Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bon ding properties and to score combinatorial libraries
    • Klebe, G.; Abraham, U. Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bon ding properties and to score combinatorial libraries. J. Comput.-Aided. Mol. Des. 1999, 13, 1-10.
    • (1999) J. Comput.-Aided. Mol. Des. , vol.13 , pp. 1-10
    • Klebe, G.1    Abraham, U.2
  • 40
    • 0024716284 scopus 로고
    • Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
    • Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics. J. Chem. Inf. Comput. Sci. 1989, 29, 163-172.
    • (1989) J. Chem. Inf. Comput. Sci. , vol.29 , pp. 163-172
    • Viswanadhan, V.N.1    Ghose, A.K.2    Revankar, G.R.3    Robins, R.K.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.