Protozoan Neglected Tropical Diseases (NTDs) Target Inhibition of Alkaloids from <i>Croton linearis</i> Jacq Leaves: A Molecular Docking and ADMET Approach.

ABSTRACT: Background/Objectives: Neglected tropical diseases (NTDs) caused by protozoan parasites such as Trypanosoma cruzi, Trypanosoma brucei, Leishmania spp., and Plasmodium falciparum remain a global health challenge due to limited therapies and increasing drug resistance. Natural products provide diverse scaffolds for antiparasitic drug discovery. This study aimed to investigate the multitarget inhibitory potential of alkaloids isolated from Croton linearis Jacq. against validated protozoan enzymes. Methods: Eighteen alkaloids were virtually screened against 17 molecular targets relevant to protozoan parasites. Protein-ligand docking simulations were performed using crystallographic structures of enzymes, including Cyp51, DHFR-TS, PTR1, AD-kinase

SUBMITTER: Rojas-Vargas JA 

PROVIDER: S-EPMC12655485 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature