IN-SILICO STUDIES OF IMIDAZO - AZINES AS POTENT NTD INHIBITORS BY MULTI-TARGET SCREEING APPRACH

Abstract

A chemical database of 30 representative imidazo-azines was built. A set of 10 different wellestablished drug targets from ten diversified metabolic pathways of the three deadly pathogens; Plasmodium falciparuni, Mycobacterium tuberculosis and Tiypanosoma cruzi causing Malaria, Tuberculosis and Chagas disease respectively were docked against the aforementioned chemical database using AUTO DOCK 4.2. It was found that 2-(4-chlorophenyl)-N-cyclohexyl-6- methylH-imidazo[ 1,2-a]pyridine-3 -amine and N-cyclohexyl-2-(4-methoxyphenyl)-6-methylH- - imidazo[l,2-a]pyridine-3-amine were the top scorers for the four successful candidates Pf Dihydrofolate Reductase, Pf Enoyl Acyl Carrier Protein Reductase, Pf Protein Kinase 7 and Tc Glyceraldehyde-3-phosphate dehydrogenase. Besides, an interaction profile of the top scorers was studied and a structural trend was established in order to understand the effect of substituents on the binding affinity values. Hence, these facts have consolidated the future use of these "hits" as multi-target drugs to cure these deadly diseases only after passing successfully through the next stages of Rational Drug Discovery process