Computational investigation of turmeric phytochemicals targeting PTR1 enzyme of Leishmania species.

ABSTRACT: In this study, we used in silico techniques to identify available parasite treatments, representing a promising therapeutic avenue. Building upon our computational initiatives aimed at discovering natural inhibitors for various target enzymes from parasites causing neglected tropical diseases (NTDs), we present novel findings on three turmeric-derived phytochemicals as inhibitors of Leishmania pteridine reductase I (PTR1) through in silico methodologies. PTR1, a crucial enzyme in the unique folate metabolism of trypanosomatid parasites, holds established therapeutic significance. Employing MOE software, a molecular docking analysis assesses the efficacy of turmeric phytochemicals against Leishmania PTR1. Validation of the docking protocol is confirmed with an RM

SUBMITTER: Ullah W 

PROVIDER: S-EPMC10963314 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature