Drug Designing: Open Access
Open Access
ISSN: 2169-0138
ISSN: 2169-0138
Department of Chemistry and Biology, Redemeer's University, Osun State, Nigeria
Research Article
Plasmodium falciparum Histo-Aspartic Protease (HAP) inhibitor: Toxicity Investigation and Docking Study of 2-(2-benzoyl-4-methylphenoxy)quinoline-3-carbaldehyde derivatives
Author(s): Aina S. Oluwafemi, Adams A. Luqman, Bello J. Adebayo and Familoni B. Oluwole*
Background: Aspartic proteases possess catalytic sites for the hydrolysis of peptide bonds, which makes them potential drug targets in malaria parasites. Inhibiting Histo-Aspartic Protease (HAP), Aspartate (Asp215) and Histidine (His32) residues of P. falciparum disrupt the growth phase and ability to catalyze erythrocyte hemoglobin degradation.
Objectives: To synthesize compound 2-(2-benzoyl-4-methyl phenoxy) quinoline-3-carbaldehyde, through sp2 C-H activation protocols. To carry out in silico screening of fifty hypothetical compounds for their toxicity, pharmacokinetics, bioactivity score and binding affinities using Protox II web server, to carry out virtual screening of their toxicity and compliance with all drug-likeness rules. To carry out a molecular docking study of the docking of the ligands and ten ref.. View More»
DOI:
10.35248/2169-0138.23.12.260