Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholinesterase: molecular docking, MD, and MM/GBSA calculations.

Autor: da Fonseca AM; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Luthierre Gama Cavalcante A; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Mendes AMDS; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., da Silva FDFC; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Ferreira DCL; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusofonia, Redenção, Brazil., Ribeiro PRV; EMBRAPA Agroindustrial Tropical, Fortaleza, Brazil., Dos Santos JCS; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusofonia, Redenção, Brazil., Dos Santos HS; Department of Biological Chemistry, Regional University of Cariri, Crato, Brazil., Gaieta EM; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Marinho GS; Theoretical Chemistry and Electrochemistry Group, State University of Ceará, Limoeiro do Norte, Brazil., Colares RP; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Marinho ES; Theoretical Chemistry and Electrochemistry Group, State University of Ceará, Limoeiro do Norte, Brazil.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Nov; Vol. 41 (19), pp. 9282-9296. Date of Electronic Publication: 2022 Nov 03.