3D QSAR investigations on antimalarial naphthylisoquinoline alkaloids by comparative molecular similarity indices analysis (CoMSIA), based on different alignment approaches

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 1, 2003, Pages 304-316

  Bringmann, Gerhard ^a   Rummey, Christian ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMALARIAL DRUG; AXIAL CHIRALITY; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; NAPHTHYLISOQUINOLINE ALKALOID;

CORRELATION METHODS; DRUG PRODUCTS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

MOLECULAR STRUCTURE;

ALKALOID; ANTIMALARIAL AGENT; ISOQUINOLINE DERIVATIVE; LIGAND;

ALGORITHM; ANIMAL; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DRUG DESIGN; DRUG EFFECT; DRUG SCREENING; HUMAN; IN VITRO STUDY; PLASMODIUM FALCIPARUM; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ALKALOIDS; ANIMALS; ANTIMALARIALS; COMPUTER SIMULATION; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HUMANS; ISOQUINOLINES; LIGANDS; MODELS, MOLECULAR; PLASMODIUM FALCIPARUM; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0037208267     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025570s     Document Type: Article

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