Literature DB >> 3504213

Structure-activity relationships for apomorphine congeners. Conformational energies vs. biological activities.

I Pettersson1, T Liljefors.   

Abstract

A series of apomorphine congeners has been studied with respect to their ability to mimic the structural requirements of the dopamine pharmacophore in the potent and stereoselective dopamine receptor agonist (R)-apomorphine. Conformational energies of the mimicking structures calculated by molecular mechanics (MMP2) correlate well with the observed biological activities.

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Year:  1987        PMID： 3504213     DOI： 10.1007/BF01676958

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  11 in total

1.  Centrally acting emetics. 8. Conformational aspects of certain dihydrophenanthrene congeners of apomorphine.

Authors:  J G Cannon; R V Smith; M A Aleem; J P Long
Journal:  J Med Chem       Date:  1975-01       Impact factor: 7.446

2.  Conformations and biological properties of apomorphine and its phenanthro(10,1-b,c)azepine homologue.

Authors:  D Berney; T J Petcher; J Schmutz; H P Weber; T G White
Journal:  Experientia       Date:  1975-11-15

Review 3.  Brain receptors for dopamine and neuroleptics.

Authors:  P Seeman; M Titeler; J Tedesco; P Weinreich; D Sinclair
Journal:  Adv Biochem Psychopharmacol       Date:  1978

4.  Centrally acting emetics. 7. Hofmann and Emde degradation products of apomorphine.

Authors:  J G Cannon; R J Borgman; M A Aleem; J P Long
Journal:  J Med Chem       Date:  1973-03       Impact factor: 7.446

5.  Synthesis and biological activity of (6aS)-10,11-dihydroxyaporphine, the optical antipode of apomorphine.

Authors:  W S Saari; S W King
Journal:  J Med Chem       Date:  1973-02       Impact factor: 7.446

6.  Centrally acting emetics. 6. Derivatives of -naphthylamine and 2-indanamine.

Authors:  J G Cannon; J C Kim; M A Aleem
Journal:  J Med Chem       Date:  1972-04       Impact factor: 7.446

7.  A common structural model for central nervous system drugs and their receptors.

Authors:  E J Lloyd; P R Andrews
Journal:  J Med Chem       Date:  1986-04       Impact factor: 7.446

8.  Chemistry and CNS-effects of 2-aminomethyl-2'--hydroxybiphenyls and 2-aminomethyl-2' 3'-dihydroxybiphenyls.

Authors:  A Misiorny; S B Ross; N E Stjernström
Journal:  Acta Pharm Suec       Date:  1977

Review 9.  Dopamine receptors: functions, subtypes and emerging concepts.

Authors:  C Kaiser; T Jain
Journal:  Med Res Rev       Date:  1985 Apr-Jun       Impact factor: 12.944

10.  N-Alkyl derivatives of (+/-)-alpha-methyldopamine.

Authors:  J G Cannon; Z Perez; J P Long; D B Rusterholz; J R Flynn; B Costall; D H Fortune; R J Naylor
Journal:  J Med Chem       Date:  1979-08       Impact factor: 7.446
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  7 in total

1.  Conformational energy penalties of protein-bound ligands.

Authors:  J Boström; P O Norrby; T Liljefors
Journal:  J Comput Aided Mol Des       Date:  1998-07       Impact factor: 3.686

2.  Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor.

Authors:  Oscar Parravicini; M Lucrecia Bogado; Sebastián Rojas; Emilio L Angelina; Sebastián A Andujar; Lucas J Gutierrez; Nuria Cabedo; M Jesús Sanz; M Pilar López-Gresa; Diego Cortes; Ricardo D Enriz
Journal:  J Mol Model       Date:  2017-09-02       Impact factor: 1.810

3.  Computational Strategy for Bound State Structure Prediction in Structure-Based Virtual Screening: A Case Study of Protein Tyrosine Phosphatase Receptor Type O Inhibitors.

Authors:  Xuben Hou; David Rooklin; Duxiao Yang; Xiao Liang; Kangshuai Li; Jianing Lu; Cheng Wang; Peng Xiao; Yingkai Zhang; Jin-Peng Sun; Hao Fang
Journal:  J Chem Inf Model       Date:  2018-10-19       Impact factor: 4.956

4.  The future of molecular dynamics simulations in drug discovery.

Authors:  David W Borhani; David E Shaw
Journal:  J Comput Aided Mol Des       Date:  2011-12-20       Impact factor: 3.686

5.  Investigation of D₂ receptor-agonist interactions using a combination of pharmacophore and receptor homology modeling.

Authors:  Marcus Malo; Lars Brive; Kristina Luthman; Peder Svensson
Journal:  ChemMedChem       Date:  2012-02-07       Impact factor: 3.466

6.  Reversible Photocontrol of Dopaminergic Transmission in Wild-Type Animals.

Authors:  Carlo Matera; Pablo Calvé; Verònica Casadó-Anguera; Rosalba Sortino; Alexandre M J Gomila; Estefanía Moreno; Thomas Gener; Cristina Delgado-Sallent; Pau Nebot; Davide Costazza; Sara Conde-Berriozabal; Mercè Masana; Jordi Hernando; Vicent Casadó; M Victoria Puig; Pau Gorostiza
Journal:  Int J Mol Sci       Date:  2022-09-04       Impact factor: 6.208

7.  The Augmenting Effects of Desolvation and Conformational Energy Terms on the Predictions of Docking Programs against mPGES-1.

Authors:  Ashish Gupta; Neha Chaudhary; Kumar Reddy Kakularam; Reddanna Pallu; Aparoy Polamarasetty
Journal:  PLoS One       Date:  2015-08-25       Impact factor: 3.240
  7 in total

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