SYSTEMATIC DRUG RECEPTOR MAPPING - A NEW APPROACH TO THE ANALYSIS OF CONFORMATIONAL ENERGY CALCULATIONS OF FLEXIBLE MOLECULES WITH APPLICATION TO DOPAMINERGIC AND ADRENERGIC AGONISTS

被引:6
作者
SANATHANAN, L [1 ]
DANAHER, E [1 ]
KIM, KH [1 ]
MARTIN, Y [1 ]
机构
[1] ABBOTT LABS,DIV PHARMACEUT PROD,N CHICAGO,IL 60064
关键词
D O I
10.1002/jcc.540080802
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1075 / 1083
页数:9
相关论文
共 25 条
[1]  
Allinger N. L., 1980, QCPE, P395
[2]   CRYSTAL AND MOLECULAR-STRUCTURE OF CLONIDINE HYDROCHLORIDE, 2-(2,6-DICHLOROPHENYLAMINO)-2-IMIDAZOLINE HYDROCHLORIDE [J].
BYRE, G ;
MOSTAD, A ;
ROMMING, C .
ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1976, 30 (09) :843-846
[3]   THE MOLECULAR-CONFORMATION OF CLONIDINE HYDROCHLORIDE, AN ALPHA-ADRENERGIC AGONIST [J].
CODY, V ;
DETITTA, GT .
JOURNAL OF CRYSTAL AND MOLECULAR STRUCTURE, 1979, 9 (01) :33-43
[4]   CONFORMATIONAL ENERGIES OF FENFLURAMINE - GRAPHICAL REPRESENTATION OF ENERGY AS A FUNCTION OF 4 CONFORMATIONAL VARIABLES [J].
CREESE, MW ;
GRUNEWALD, GL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (08) :2463-2469
[5]  
CRIPPEN GM, 1982, MOL PHARMACOL, V22, P11
[6]   CONFORMATIONALLY DEFINED ADRENERGIC AGENTS .2. CATECHOL IMIDAZOLINE DERIVATIVES - BIOLOGICAL EFFECTS OF ALPHA-1 AND ALPHA-2 ADRENERGIC-RECEPTORS [J].
DEBERNARDIS, JF ;
KYNCL, JJ ;
BASHA, FZ ;
ARENDSEN, DL ;
MARTIN, YC ;
WINN, M ;
KERKMAN, DJ .
JOURNAL OF MEDICINAL CHEMISTRY, 1986, 29 (04) :463-467
[7]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[8]   INTERACTIVE COMPUTER SURFACE GRAPHICS APPROACH TO STUDY OF ACTIVE-SITE OF BOVINE TRYPSIN [J].
FELDMANN, RJ ;
BING, DH ;
FURIE, BC ;
FURIE, B .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1978, 75 (11) :5409-5412
[9]   ROLE OF STRUCTURAL FLEXIBILITY IN CONFORMATIONAL CALCULATIONS - APPLICATION TO ACETYLCHOLINE AND BETA-METHYLACETYLCHOLINE [J].
GELIN, BR ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (24) :6996-7006
[10]   ABSOLUTE-CONFIGURATION OF APOMORPHINE [J].
GIESECKE, J .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1977, 33 (JAN15) :302-303