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Abstract

In this study, we mainly focused on three anti-malarial drugs which were analyzed against the two malarial targets. Chloroquine, Mefloquine and, Proguanil was chosen as anti-malarial drugs while DHFR and GST targets from human malarial parasites like Plasmodium falciparum, Plasmodium malariae, Plasmodium ovale,  and Plasmodium vivax  were considered for the study. This study was conducted to understand the sequence and structural similarity between protein DHFR and GST among four Plasmodium species  as well as to find out there in silico  interactions with above-stated drug candidates. There were many bioinformatics databases, tools, and software’s were run to bring out research. Our data showed not many structural differences between Plasmodium  sequences but yet other characteristics of them that make them different from each other. Hence that variation has shown a difference in the binding patterns of drugs with target proteins.

Keywords

Antimalarial drugs Structural biology Phylogenetic analysis Molecular docking

Article Details

How to Cite
Shrutika Sakpal, Alpana Bastikar, Shanker Lal Kothari, & Virupaksha Bastikar. (2021). In silico characterization of human-malarial parasite species based on their DHFR and GST targets leading to a change in binding conformations of anti-malarial drugs. International Journal of Research in Pharmaceutical Sciences, 12(1), 793-807. https://doi.org/10.26452/ijrps.v12i1.4183