QSAR studies on antimalarial 2,4-diamino-6-quinazoline sulfonamides.
The present paper discusses QSAR studies on antimalarial 2,4-diamino-6-quinazoline sulfonamide derivatives using electronic parameters, namely energy of highest occupied molecular orbitals (EH), energy of lowest unoccupied molecular orbitals (EL) and charge density (CD). The results have shown that better results are obtained by introducing dummy parameters (indicator parameter), Ip. Excellent results are obtained when all the four parameters (EH, EL, CD and Ip) are used in correlation analysis.
Department of Chemistry, APS University, Rewa 486 003, India.
V K
VK
Agrawal
S
S
Sinha
S
S
Bano
P V
PV
Khadikar
D000962:Antimalarials / Q000737:chemistry* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D011799:Quinazolines / Q000737:chemistry / Q000494:pharmacology*; D012044:Regression Analysis; D013449:Sulfonamides / Q000737:chemistry / Q000494:pharmacology*
D000962:Antimalarials; D011799:Quinazolines; D013449:Sulfonamides