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Volumn 71, Issue 3, 2008, Pages 260-270

MLR-ANN and RTO approach to μ-opioid receptor-binding affinity. Pooling data from different sources

Author keywords

receptor binding affinity; Artificial Neuron Network; Cheminformatics; Multiple Linear Regression; Quantitative structure activity relationship; Structure based drug design

Indexed keywords

MORPHINAN DERIVATIVE; MU OPIATE RECEPTOR; NIH 10945; NIH 11001; NIH 11011; NIH 11027; NIH 11028; NIH 11031; NIH 11037; NIH 11041; NIH 11044; NIH 11045; NIH 11050; NIH 11052; NIH 11053; NIH 11054; NIH 11055; NIH 11057; NIH 11058; NIH 11059; NIH 11060; NIH 11061; NIH 11062; NIH 11063; NIH 11065; NIH 11066; NIH 11067; NIH 11068; NIH 11072; NIH 11073; NIH 11074; NIH 11075; NIH 11076; NIH 11077; NIH 11081; NIH 11082; NIH 11088; NIH 11093; NIH 11095; NIH 11096; NIH 11097; NIH 11098; NIH 11100; NIH 11101; NIH 11109; NIH 11112; NIH 11113; NIH 11114; NIH 11116; NIH 11117; NIH 11118; NIH 11119; NIH 11120; NIH 11121; NIH 11127; NIH 11128; NIH 11130; NIH 11131; NIH 11132; NIH 11133; NIH 11134; NIH 11135; NIH 11136; NIH 11137; NIH 11139; NIH 11140; NIH 11144; NIH 11146; NIH 11149; NIH 11150; NIH 11151; NIH 11152; NIH 11153; NIH 11154; NIH 11164; NIH 11165; NIH 11166; NIH 11167; NIH 11168; NIH 11176; NIH 11177; NIH 11178; NIH 11179; NIH 11180; NIH 11181; NIH 11182; NIH 11183; NIH 11185; NIH 11186; NIH 11187; NIH 11188; NIH 11189; NIH 11190; NIH 11191; NIH 11192; NIH 11194; NIH 11195; NIH 11196; NIH 11197; NIH 11209; NIH 11210; NIH 11212; NIH 11213; NIH 11214; NIH 11231; NIH 11232; NIH 11233; NIH 11234; NIH 11248; UNCLASSIFIED DRUG; UNINDEXED DRUG;

EID: 38849174906     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00626.x     Document Type: Article
Times cited : (7)

References (41)
  • 1
    • 37049238420 scopus 로고
    • Opiate receptor: Demonstration in nervous tissue
    • Pert C.B., Snyder S.H. (1973) Opiate receptor: demonstration in nervous tissue. Science 179 : 1011 1014.
    • (1973) Science , vol.179 , pp. 1011-1014
    • Pert, C.B.1    Snyder, S.H.2
  • 2
    • 0034128416 scopus 로고    scopus 로고
    • Molecular mechanisms and regulation of opioid receptor signaling
    • Law P.Y., Wong Y.H., Loh H.H. (2000) Molecular mechanisms and regulation of opioid receptor signaling. Annu Rev Pharmacol Toxicol 40 : 389 430.
    • (2000) Annu Rev Pharmacol Toxicol , vol.40 , pp. 389-430
    • Law, P.Y.1    Wong, Y.H.2    Loh, H.H.3
  • 4
    • 0025827095 scopus 로고
    • Selective blockage of delta opioid receptors prevents the development of morphine tolerance and dependence in mice
    • Abdelhamid E.E., Sultana M., Portoghese P.S., Takemori A.E. (1991) Selective blockage of delta opioid receptors prevents the development of morphine tolerance and dependence in mice. J Pharmacol Exp Ther 258 : 299 303.
    • (1991) J Pharmacol Exp Ther , vol.258 , pp. 299-303
    • Abdelhamid, E.E.1    Sultana, M.2    Portoghese, P.S.3    Takemori, A.E.4
  • 5
    • 0033539134 scopus 로고    scopus 로고
    • The opioid mu agonist/delta antagonist DIPP-NH(2) [Psi] produces a potent analgesic effect, no physical dependence, and less tolerance than morphine in rats
    • Schiller P.W., Fundytus M.E., Merovitz L., Weltrowska G., Nguyen T.M., Lemieux C., Chung N.N., Coderre T.J. (1999) The opioid mu agonist/delta antagonist DIPP-NH(2) [Psi] produces a potent analgesic effect, no physical dependence, and less tolerance than morphine in rats. J Med Chem 42 : 3520 3526.
    • (1999) J Med Chem , vol.42 , pp. 3520-3526
    • Schiller, P.W.1    Fundytus, M.E.2    Merovitz, L.3    Weltrowska, G.4    Nguyen, T.M.5    Lemieux, C.6    Chung, N.N.7    Coderre, T.J.8
  • 6
    • 0033179904 scopus 로고    scopus 로고
    • Functional dissociation of mu opioid receptor signaling and endocytosis: Implications for the biology of opiate tolerance and addiction
    • Whistler J.L., Chuang H.H., Chu P., Jan L.Y., von Zastrow M. (1999) Functional dissociation of mu opioid receptor signaling and endocytosis: implications for the biology of opiate tolerance and addiction. Neuron 23 : 737 746.
    • (1999) Neuron , vol.23 , pp. 737-746
    • Whistler, J.L.1    Chuang, H.H.2    Chu, P.3    Jan, L.Y.4    Von Zastrow, M.5
  • 7
    • 0035138995 scopus 로고    scopus 로고
    • Cellular and synaptic adaptations mediating opioid dependence
    • Williams J.T., Christie M.J., Manzoni O. (2001) Cellular and synaptic adaptations mediating opioid dependence. Physiol Rev 81 : 299 343.
    • (2001) Physiol Rev , vol.81 , pp. 299-343
    • Williams, J.T.1    Christie, M.J.2    Manzoni, O.3
  • 8
    • 27944489762 scopus 로고    scopus 로고
    • The future of opioid analgesics
    • Coop A., MacKerell A.D. Jr. (2002) The future of opioid analgesics. Am J Pharm Educ 66 : 153 156.
    • (2002) Am J Pharm Educ , vol.66 , pp. 153-156
    • Coop, A.1    MacKerell Jr., A.D.2
  • 9
    • 38849148019 scopus 로고
    • Exploring QSAR: Fundamental and application in chemistry and biology, Chapter 6
    • In: Heller, S.R., editor. Washington, DC: American Chemical Society. p.
    • Hansch C., Leo A. (1995) Exploring QSAR: fundamental and application in chemistry and biology, Chapter 6. In : Heller S.R., editor. QSAR of Nonspecific Toxicity. Washington, DC : American Chemical Society p. 161 222.
    • (1995) QSAR of Nonspecific Toxicity. , pp. 161-222
    • Hansch, C.1    Leo, A.2
  • 13
    • 14944378406 scopus 로고    scopus 로고
    • 3D.QSAR comparative molecular field analysis on opioid receptor antagonists: Pooling data from different studies
    • Peng Y., Keenan S.M., Zhang Q., Kholodovych V., Welsh W.J. (2005) 3D.QSAR comparative molecular field analysis on opioid receptor antagonists: pooling data from different studies. J Med Chem 48 : 1620 1629.
    • (2005) J Med Chem , vol.48 , pp. 1620-1629
    • Peng, Y.1    Keenan, S.M.2    Zhang, Q.3    Kholodovych, V.4    Welsh, W.J.5
  • 15
    • 0026503932 scopus 로고
    • Molecular determinants of μ receptor recognition for the fentanyl class of compound
    • Commeta-Morini C., Maguire P.A., Loew G.H. (1992) Molecular determinants of μ receptor recognition for the fentanyl class of compound. Mol Pharmacol 41 : 185 196.
    • (1992) Mol Pharmacol , vol.41 , pp. 185-196
    • Commeta-Morini, C.1    Maguire, P.A.2    Loew, G.H.3
  • 16
    • 0035914576 scopus 로고    scopus 로고
    • Comparison of different methods for variable selection
    • Xu L., Zhang W.J. (2001) Comparison of different methods for variable selection. Anal Chim Acta 446 : 475 481.
    • (2001) Anal Chim Acta , vol.446 , pp. 475-481
    • Xu, L.1    Zhang, W.J.2
  • 17
    • 0031735526 scopus 로고    scopus 로고
    • Artificial neural networks for computer-based molecular design
    • Schbeider G., Wrede P. (1998) Artificial neural networks for computer-based molecular design. Prog Biophys Mol Biol 70 : 175 222.
    • (1998) Prog Biophys Mol Biol , vol.70 , pp. 175-222
    • Schbeider, G.1    Wrede, P.2
  • 18
    • 33751187949 scopus 로고    scopus 로고
    • Biological evaluation of opioid, stimulants, and depressants: I. An overview of the studies performed by the Drug Evaluation Committee of the college on problems of drug dependence (2004)
    • In: Dewey, W.L., editor. vol. 185. Washington, DC: National Institute on Drug Abuse Research Monograph Series. pp.
    • Coop A. (2005) Biological evaluation of opioid, stimulants, and depressants: I. An overview of the studies performed by the Drug Evaluation Committee of the college on problems of drug dependence (2004). In : Dewey W.L., editor. Problems of Drug Dependence 2004, vol. 185. Washington, DC : National Institute on Drug Abuse Research Monograph Series pp. 105 130.
    • (2005) Problems of Drug Dependence 2004 , pp. 105-130
    • Coop, A.1
  • 19
    • 34447295026 scopus 로고    scopus 로고
    • Biological evaluation of opioid, stimulants, and depressants: II. An overview of the studies performed by the Drug Evaluation Committee of the college on problems of drug dependence (2005)
    • In: Dewey, W.L., editor. vol. 186. Washington, DC: National Institute on Drug Abuse Research Monograph Series. p.
    • Coop A. (2006) Biological evaluation of opioid, stimulants, and depressants: II. An overview of the studies performed by the Drug Evaluation Committee of the college on problems of drug dependence (2005). In : Dewey W.L., editor. Problems of Drug Dependence 2005, vol. 186. Washington, DC : National Institute on Drug Abuse Research Monograph Series p. 145 162.
    • (2006) Problems of Drug Dependence 2005 , pp. 145-162
    • Coop, A.1
  • 21
    • 0842341771 scopus 로고
    • Development and use of quantum mechanical molecular models. 76. AM1: A new general purpose quantum mechanical molecular model
    • Dewar M.J.S., Zeoblish E.G., Healy E.F., Stewart J.J. (1985) Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. J Am Chem Soc 107 : 3902 3909.
    • (1985) J Am Chem Soc , vol.107 , pp. 3902-3909
    • Dewar, M.J.S.1    Zeoblish, E.G.2    Healy, E.F.3    Stewart, J.J.4
  • 22
    • 84988122931 scopus 로고
    • An algorithm for the location of transition states
    • Baker J. (1993) An algorithm for the location of transition states. J Comput Chem 7 : 385 395.
    • (1993) J Comput Chem , vol.7 , pp. 385-395
    • Baker, J.1
  • 25
    • 13844321935 scopus 로고    scopus 로고
    • Determining the validity of a QSAR model - A classification approach
    • Guha R., Jurs P.C. (2005) Determining the validity of a QSAR model - a classification approach. J Chem Inf Model 45 : 65 73.
    • (2005) J Chem Inf Model , vol.45 , pp. 65-73
    • Guha, R.1    Jurs, P.C.2
  • 26
    • 0015417054 scopus 로고
    • Chance correlation in structure-activity studies using multiple regression analysis
    • Topliss J.G., Costello R.J. (1972) Chance correlation in structure-activity studies using multiple regression analysis. J Med Chem 15 : 1066 1068.
    • (1972) J Med Chem , vol.15 , pp. 1066-1068
    • Topliss, J.G.1    Costello, R.J.2
  • 27
    • 0018709674 scopus 로고
    • Chance factors in studies of quantitative structure-activity relationships
    • Topliss J.G., Edwards R.P. (1979) Chance factors in studies of quantitative structure-activity relationships. J Med Chem 22 : 1238 1244.
    • (1979) J Med Chem , vol.22 , pp. 1238-1244
    • Topliss, J.G.1    Edwards, R.P.2
  • 28
    • 33947168866 scopus 로고    scopus 로고
    • QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin a using quantum chemical properties
    • Fernández M., Caballero J. (2007) QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin A using quantum chemical properties. J Mod Model 13 : 465 476.
    • (2007) J Mod Model , vol.13 , pp. 465-476
    • Fernández, M.1    Caballero, J.2
  • 30
    • 0016167564 scopus 로고
    • The influence of serotonin, GABA, and DL-dopaon the circadian rhythm in the toxicity of picrotoxin, pentylenetetrazol and phenobarbital in mice
    • Walker C.A., Owasoyo J.O. (1974) The influence of serotonin, GABA, and DL-dopaon the circadian rhythm in the toxicity of picrotoxin, pentylenetetrazol and phenobarbital in mice. Int J Chronobiol 2 : 125 130.
    • (1974) Int J Chronobiol , vol.2 , pp. 125-130
    • Walker, C.A.1    Owasoyo, J.O.2
  • 32
    • 0016355478 scopus 로고
    • A new look at the statistical model identification
    • Akaike H. (1974) A new look at the statistical model identification. IEEE Trans Automat Contr AC-19 : 716 723.
    • (1974) IEEE Trans Automat Contr , vol.19 , pp. 716-723
    • Akaike, H.1
  • 33
    • 0028597381 scopus 로고
    • Variable selection in QSAR studies: 2. a highly efficient combination of systematic search and evolution
    • Kubinyi H. (1994) Variable selection in QSAR studies: 2. A highly efficient combination of systematic search and evolution. QSAR 13 : 393 401.
    • (1994) QSAR , vol.13 , pp. 393-401
    • Kubinyi, H.1
  • 34
    • 0033241810 scopus 로고    scopus 로고
    • An empirical comparison of permutation methods for tests of partial regression coefficients in a linear model
    • Anderson M.J., Legendre P. (1999) An empirical comparison of permutation methods for tests of partial regression coefficients in a linear model. J Stat Comput Simul 62 : 271 303.
    • (1999) J Stat Comput Simul , vol.62 , pp. 271-303
    • Anderson, M.J.1    Legendre, P.2
  • 35
    • 0036589086 scopus 로고    scopus 로고
    • Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors: 1. Theory of the novel 3D molecular descriptors
    • Consonni V., Todeschini R., Pavan M. (2002) Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors: 1. Theory of the novel 3D molecular descriptors. J Chem Inf Comput Sci 42 : 682 692.
    • (2002) J Chem Inf Comput Sci , vol.42 , pp. 682-692
    • Consonni, V.1    Todeschini, R.2    Pavan, M.3
  • 36
    • 0025314942 scopus 로고
    • Design of peptidomimetic delta opioid receptor antagonist using the message-address concept
    • Portoghese P.S., Sultana M., Takemori A.E. (1990) Design of peptidomimetic delta opioid receptor antagonist using the message-address concept. J Med Chem 33 : 1714 1720.
    • (1990) J Med Chem , vol.33 , pp. 1714-1720
    • Portoghese, P.S.1    Sultana, M.2    Takemori, A.E.3
  • 37
    • 0000224701 scopus 로고    scopus 로고
    • The coding of the three dimensional structure of molecules by molecular transforms and its application to structure - Spectra correlations and studies of biological activity
    • Schuur J.H., Selzer P., Gasteiger J. (1996) The coding of the three dimensional structure of molecules by molecular transforms and its application to structure - spectra correlations and studies of biological activity. J Chem Inf Comput Sci 36 : 334 344.
    • (1996) J Chem Inf Comput Sci , vol.36 , pp. 334-344
    • Schuur, J.H.1    Selzer, P.2    Gasteiger, J.3
  • 38
    • 76549254593 scopus 로고
    • Notes on continuous stochastic processes
    • Moran P.A.P. (1950) Notes on continuous stochastic processes. Biometrika 37 : 17 23.
    • (1950) Biometrika , vol.37 , pp. 17-23
    • Moran, P.A.P.1
  • 39
    • 0030278229 scopus 로고    scopus 로고
    • Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: Dopamine and benzodiazepine agonists
    • Bauknecht H., Zell A., Bayer A.H., Levi P., Wagener M., Sadowski J., Gasteiger J. (1996) Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists. J Chem Inf Comput Sci 36 : 1205 1213.
    • (1996) J Chem Inf Comput Sci , vol.36 , pp. 1205-1213
    • Bauknecht, H.1    Zell, A.2    Bayer, A.H.3    Levi, P.4    Wagener, M.5    Sadowski, J.6    Gasteiger, J.7
  • 40
    • 33847047534 scopus 로고
    • Opioid analgesics
    • In: Foye, W.O., Lemke, T.L., Williams, D.A., editors. Philadelphia, PA: Williams & Wilkins. p.
    • Fries D.S. (1995) Opioid analgesics. In : Foye W.O., Lemke T.L., Williams D.A., editors. Principles of Medicinal Chemistry. Philadelphia, PA : Williams & Wilkins p. 453 479.
    • (1995) Principles of Medicinal Chemistry. , pp. 453-479
    • Fries, D.S.1


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