QSAR of antimalarial cyclic peroxy ketals II: Exploration of pharmacophoric site using AM1 calculations

Quantitative Structure-Activity Relationships

Volumn 20, Issue 4, 2001, Pages 319-326

  Roy, Kunal ^a   De, A U ^b   Sengupta, Chandana ^b  

^a SEEMANTA INSTITUTE OF PHARMACEUTICAL SCIENCES   (India)

^b JADAVPUR UNIVERSITY   (India)

Author keywords

AM1 calculations; Antimalarials; Cyclic peroxy ketals; Hansch analysis; QSAR

Indexed keywords

AM1 CALCULATIONS; ANTIMALARIAL; CYCLIC PEROXY KETAL; ENERGY MINIMIZATION; HANSCH ANALYSE; MOLECULAR ELECTROSTATIC POTENTIALS; NON HYDROGENS; P. FALCIPARUM; PEROXY KETALS; QSAR;

AMINO ACIDS;

ACETAL DERIVATIVE; CARBOXYL GROUP; CYCLIC PEROXYKETAL DERIVATIVE; HEME; HISTIDINE; HYDROGEN; IRON; OXYGEN; PHENYL GROUP; UNCLASSIFIED DRUG;

ANTIMALARIAL ACTIVITY; ARTICLE; CALCULATION; CHEMICAL BOND; DRUG ACTIVITY; DRUG STRUCTURE; ELECTRIC POTENTIAL; ENERGY; GEOMETRY; MODEL; MOLECULAR INTERACTION; PHARMACOPHORE; PLASMODIUM FALCIPARUM; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOCHEMISTRY; STRUCTURE ANALYSIS;

EID: 0035218041     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200111)20:4<319::AID-QSAR319>3.0.CO;2-M     Document Type: Article

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