Computational elucidation of enoyl-ACP reductase inhibition by compounds: adaptive ligand binding drives antimalarial activity.

Abstract: Malaria remains a critical global health challenge due to rising resistance. Natural products are a rich source of novel antimalarials; extracts of (SD) have shown potent antiplasmodial effects. Here, three -derived isolates: SD03 (benzyl 2-methoxybenzoate), SD04 (1,10-dihydroxy-6H-benzo[c]chromen-6-one) and SD05 (8-hydroxy-3,4-dimethoxydibenzo[b,d]furan-1-carboxylic acid) were investigated to identify their molecular target.

Phenazine Scaffolds as a Potential Allosteric Inhibitor of LasR Protein in .

Millions of individuals suffer from chronic infections caused by bacterial biofilms, resulting in significant loss of life. stands out as a major culprit in causing such chronic infections, largely due to its antibiotic resistance. This pathogen poses a considerable threat in healthcare settings, particularly to critically ill and immunocompromised patients.

The Amaryllidaceae alkaloid, montanine, is a potential inhibitor of the trans-sialidase enzyme.

is the parasite that causes the chronic malady known as Chagas disease (CD). Only nifurtimox and benznidazole are currently approved to treat CD in acute and chronic phases. To minimize the danger of disease transmission and as a therapy, new compounds that are safer and more effective are required.