title: Qsar study of some substituted 4-quinolinyl and 9-acridinyl hydrazones as antimalarial agents.
abstract: The quantitative structure-activity relationship (QSAR) analysis of some synthesized substituted 4-quinolinyl and 9-acridinyl hydrazone derivatives were performed to find out the structural requirements of their antimalarial activities. Various 2D descriptors were calculated and used in the present analysis. The 2D-QSAR studies were performed using three statistical methods: the multiple linear regressions, giving square of correlation coefficient (r(2)) = 0.8456, cross validated squared correlation coefficient (q(2)) = 0.7814 and predictable ability (pred_r(2)) = 0.7443; the partial least squares regression, with r(2) = 0.8402, q(2) = 0.7879 and pred_r(2) = 0.7680; and principle component regression, giving r(2) = 0.8392, q(2) = 0.7979 and pred_r(2) = 0.6440. Best equation was selected on the basis of high r(2), q(2) and pred_r(2). The QSAR model indicated that the T_N_O_3, IdAverage, chiV6chain, Most-vePotential and T_C_N_6 played an important role in determining antimalarial activities. The results of the present study may be useful on the designing of more potent analogues as antimalarial agents.
authors.affiliation: Department of Pharmaceutical Sciences, Dr. H. S. Gour University, Sagar, India. nitendrasemail@yahoo.com
authors.forename: Nitendra K
authors.initials: NK
authors.lastname: Sahu
authors.forename: Mukesh
authors.initials: M
authors.lastname: Sharma
authors.forename: Vishnukanth
authors.initials: V
authors.lastname: Mourya
authors.forename: D V
authors.initials: DV
authors.lastname: Kohli
mesh_terms: D000962:Antimalarials / Q000494:pharmacology*; D006835:Hydrazones / Q000494:pharmacology*; D016018:Least-Squares Analysis; D016014:Linear Models; D021281:Quantitative Structure-Activity Relationship; D011804:Quinolines / Q000494:pharmacology*
chemical_list: D000962:Antimalarials; D006835:Hydrazones; D011804:Quinolines