CRYSTAL-STRUCTURE AND QUANTUM ELECTRONIC ANALYSES OF PITRAZEPIN, A GAMMA-AMINOBUTYRIC ACID (GABA) RECEPTOR ANTAGONIST

被引:11
作者
BOULANGER, T [1 ]
VERCAUTEREN, DP [1 ]
EVRARD, G [1 ]
DURANT, F [1 ]
机构
[1] FAC UNIV NOTRE DAME PAIX,CHIM MOLEC STRUCT LAB,RUE BRUXELLES 61,B-5000 NAMUR,BELGIUM
来源
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1989年 / 03期
关键词
D O I
10.1039/p29890000217
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:217 / 221
页数:5
相关论文
共 13 条
[1]  
BINKLEY JS, 1983, GAUSSIAN 82 PROGRAM
[2]   3-ISOXAZOLOL AND 5-ISOXAZOLOL ZWITTERIONS - AN ABINITIO MOLECULAR-ORBITAL STUDY RELATING TO GABA AGONISM AND ANTAGONISM [J].
BOULANGER, T ;
VERCAUTEREN, DP ;
DURANT, F ;
ANDRE, JM .
JOURNAL OF THEORETICAL BIOLOGY, 1987, 127 (04) :479-489
[3]   PITRAZEPIN, A NOVEL GABAA ANTAGONIST [J].
GAHWILER, BH ;
MAURER, R ;
WUTHRICH, HJ .
NEUROSCIENCE LETTERS, 1984, 45 (03) :311-316
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[5]  
Johnson C., 1965, ORNL3794
[6]  
MAIN P, 1980, MULTAN 80 SYSTEM COM
[7]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840
[8]  
POPLE JA, 1977, APPLICATIONS ELECTRO
[9]   AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].
PULAY, P .
MOLECULAR PHYSICS, 1969, 17 (02) :197-&
[10]  
PULAY P, 1977, APPLICATIONS ELECTRO