Modulation of opioid receptor affinity and efficacy via N-substitution of 9ß-hydroxy-5-(3-hydroxyphenyl)morphan: Synthesis and computer simulation study.

Truong, Phong M; Hassan, Sergio A; Lee, Yong-Sok; Kopajtic, Theresa A; Katz, Jonathan L; Chadderdon, Aaron M; Traynor, John R; Deschamps, Jeffrey R; Jacobson, Arthur E; Rice, Kenner C

Truong, Phong M; Hassan, Sergio A; Lee, Yong-Sok; Kopajtic, Theresa A; Katz, Jonathan L; Chadderdon, Aaron M; Traynor, John R; Deschamps, Jeffrey R; Jacobson, Arthur E; Rice, Kenner C.

Afiliação

Truong PM; Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism, National Institutes of Health, Department of Health and Human Services, 9800 Medical Center
Hassan SA; Center for Molecular Modeling, Office of Intramural Research, Center for Information Technology, National Institutes of Health, Department of Health and Human Services, Bethesda, MD 20892, United States.
Lee YS; Center for Molecular Modeling, Office of Intramural Research, Center for Information Technology, National Institutes of Health, Department of Health and Human Services, Bethesda, MD 20892, United States.
Kopajtic TA; Psychobiology Section, Molecular Neuropsychiatry Research Branch, Intramural Research Program, National Institute on Drug Abuse, National Institutes of Health, Department of Health and Human Services, Baltimore, MD 21224, United States.
Katz JL; Psychobiology Section, Molecular Neuropsychiatry Research Branch, Intramural Research Program, National Institute on Drug Abuse, National Institutes of Health, Department of Health and Human Services, Baltimore, MD 21224, United States.
Chadderdon AM; Department of Pharmacology, University of Michigan Medical School, Ann Arbor, MI 48109, United States.
Traynor JR; Department of Pharmacology, University of Michigan Medical School, Ann Arbor, MI 48109, United States.
Deschamps JR; Center for Biomolecular Science and Engineering, Naval Research Laboratory, Washington DC 20375, United States.
Jacobson AE; Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism, National Institutes of Health, Department of Health and Human Services, 9800 Medical Center
Rice KC; Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism, National Institutes of Health, Department of Health and Human Services, 9800 Medical Center

Bioorg Med Chem ; 25(8): 2406-2422, 2017 04 15.

Article em En | MEDLINE | ID: mdl-28314512

Assuntos

Simulação por Computador; Morfinanos/síntese química; Morfinanos/farmacologia; Receptores Opioides/efeitos dos fármacos; Espectroscopia de Ressonância Magnética Nuclear de Carbono-13; Cristalografia por Raios X; Modelos Moleculares; Simulação de Dinâmica Molecular; Morfinanos/química; Morfinanos/metabolismo; Ligação Proteica; Espectroscopia de Prótons por Ressonância Magnética; Receptores Opioides/metabolismo; Espectrometria de Massas por Ionização por Electrospray

Palavras-chave

GTP(Î³)(35)S functional studies; Molecular dynamics simulations for an atomic-level rationale; Opioid agonists and antagonists; Opioid receptor binding affinity; µ-, Î´- and κ-opioid receptors

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação por Computador / Receptores Opioides / Morfinanos Idioma: En Revista: Bioorg Med Chem Assunto da revista: BIOQUIMICA / QUIMICA Ano de publicação: 2017 Tipo de documento: Article

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