2D-quantitative structure-activity relationships model using PLS method for anti-malarial activities of anti-haemozoin compounds.

ABSTRACT:

Background

Emergence of cross-resistance to current anti-malarial drugs has led to an urgent need for identification of potential compounds with novel modes of action and anti-malarial activity against the resistant strains. One of the most promising therapeutic targets of anti-malarial agents related to food vacuole of malaria parasite is haemozoin, a product formed by the parasite through haemoglobin degradation.

Methods

With this in mind, this study developed two-dimensional-quantitative structure-activity relationships (QSAR) models of a series of 21 haemozoin inhibitors to explore the useful physicochemical parameters of the active compounds for estimation of anti-malarial activities. The 2D-QSAR model with good statistical quality using partial least square method was

SUBMITTER: Nguyen PTV 

PROVIDER: S-EPMC8196453 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature