Molecular Docking, Drug-Likeness Studies and ADMET Prediction of Quinoline Imines for Antimalarial Activity

Abstract

A novel series of quinoline imines were designed by molecular manipulation approach using the principle of rational drug design. Newly designed quinoline imines were screened virtually for antimalarial effectiveness and also for drug-likeness using various in silico tools of drug design. The molecular docking was performed against P. falciparum parasite targeting specific cysteine protease falcipain 2 enzyme. In addition, drug-likeness and ADMET prediction studies were carried out using in silico tools. Our study reports antimalarial potential of novel quinoline imines as druglike molecules which can be further developed as potent antimalarial agents (falcipain 2 inhibitors) possibly against resistant P. falciparum parasite.