Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches.

Autor: Barbosa H; Center for Natural and Human Sciences, Federal University of ABC, São Paulo 09210-180, Brazil., Espinoza GZ; School of Arts, Science, and Humanities, University of São Paulo, São Paulo 03828-000, Brazil., Amaral M; Laboratory of Pathophysiology, Butantan Institute, São Paulo 05503-900, Brazil., de Castro Levatti EV; Laboratory of Pathophysiology, Butantan Institute, São Paulo 05503-900, Brazil., Abiuzi MB; Laboratory of Pathophysiology, Butantan Institute, São Paulo 05503-900, Brazil., Veríssimo GC; Department of Pharmaceutical Products, Federal University of Minas Gerais, Minas Gerais, 31270-901, Brazil., Fernandes PO; Department of Pharmaceutical Products, Federal University of Minas Gerais, Minas Gerais, 31270-901, Brazil., Maltarollo VG; Department of Pharmaceutical Products, Federal University of Minas Gerais, Minas Gerais, 31270-901, Brazil., Tempone AG; Laboratory of Pathophysiology, Butantan Institute, São Paulo 05503-900, Brazil., Honorio KM; Center for Natural and Human Sciences, Federal University of ABC, São Paulo 09210-180, Brazil.; School of Arts, Science, and Humanities, University of São Paulo, São Paulo 03828-000, Brazil., Lago JHG; Center for Natural and Human Sciences, Federal University of ABC, São Paulo 09210-180, Brazil.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 08; Vol. 64 (7), pp. 2565-2576. Date of Electronic Publication: 2023 Dec 26.