Predictive Global Models of Cruzain Inhibitors with Large Chemical Coverage.

ABSTRACT: Chagas disease affects 8-11 million people worldwide, most of them living in Latin America. Moreover, migratory phenomena have spread the infection beyond endemic areas. Efforts for the development of new pharmacological therapies are paramount as the pharmacological profile of the two marketed drugs currently available, nifurtimox and benznidazole, needs to be improved. Cruzain, a parasitic cysteine protease, is one of the most attractive biological targets due to its roles in parasite survival and immune evasion. In this work, we compiled and curated a database of diverse cruzain inhibitors previously reported in the literature. From this data set, quantitative structure-activity relationship (QSAR) models for the prediction of their pIC₅₀ values were generated using k-

SUBMITTER: Rosas-Jimenez JG 

PROVIDER: S-EPMC7970485 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature