Computational study to discover potent phytochemical inhibitors against drug target, squalene synthase from Leishmania donovani.

ABSTRACT:

Aims

The parasite, Leishmania donovani is responsible for lethal visceral leishmaniasis (VL) in humans. There is a need to investigate novel medicines as antileishmanial drugs, as medication currently introduced for leishmaniasis may cause resistance, serious side-effects, chemical instability and high cost. Therefore, this computational study was designed to explore potential phytochemical inhibitors against Leishmania donovani squalene synthase (LdSQS) enzyme, a drug target.

Main methods

Multiple sequence alignment was carried to detect conserved regions across squalene synthases from different Leishmania spp. Their evolutionary relationships were studied by generating phylogenetic tree. Homology modeling method was used to build a three dimensional mo

SUBMITTER: Wadanambi PM 

PROVIDER: S-EPMC8188062 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature