Thymol Derivatives as Antimalarial Agents: Synthesis, Activity Against Plasmodium falciparum, ADMET Profiling, and Molecular Docking Insights.

ABSTRACT: Background: Thymol, a natural phenol with antimicrobial and antioxidant activities, and its derivatives offer promising scaffolds for antimalarial drug development, potentially helping overcome resistance. Materials and Methods: In this study, thymol derivatives were synthesized and assessed as antiplasmodial agents against both resistant and sensitive strains of P. falciparum, as well as Plasmodium knowlesi. The ligand molecules were assessed with Plasmodium falciparum chloroquine resistance transporter (PfCRT)'s potential using in silico molecular docking and ADMET analysis. The parent compound, thymol, was chemically modified through esterification and conjugation with hydroxybenzoic acid and cinnamic acid derivatives to generate analogs with varied su

SUBMITTER: Ali AH 

PROVIDER: S-EPMC12839381 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature