title: QSAR studies on antimalarial activities of 2-phenyl-4-quinoline-carbinolamines.
abstract: QSAR study on a series of 2-phenyl-4-quinoline carbinolamine antimalarials was performed using electronic parameters to correlate the electronic features with antimalarial activities. The electronic parameters used were energy of the highest occupied molecular orbitals (EH), energy of the lowest unoccupied molecular orbitals (EL), the total pi-electron energy (ET) and charge density (CD). The results have shown that the antimalarial potential can be modeled by these parameters. The study will aid in efficient designing of this class of antimalarial agents.
authors.affiliation: Department of Chemistry, APS University, Rewa, India.
authors.forename: V K
authors.initials: VK
authors.lastname: Agrawal
authors.forename: S
authors.initials: S
authors.lastname: Sinha
authors.forename: S
authors.initials: S
authors.lastname: Bano
authors.forename: P V
authors.initials: PV
authors.lastname: Khadikar
mesh_terms: D000962:Antimalarials / Q000737:chemistry*; D004583:Electrons; D008968:Molecular Conformation; D011804:Quinolines / Q000737:chemistry*
chemical_list: D000962:Antimalarials; D011804:Quinolines