Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product. - Geysillene Castro Matos M; da Silva LP; Wagner Queiroz Almeida-Neto F; Machado Marinho E; Róseo Paula Pessoa Bezerra de Menezes R; Lima Sampaio T; Nunes da Rocha M; Rodrigues Ribeiro L; Paula Magalhaes E; Rodrigues Teixeira AM; Dos Santos HS; Marinho ES; et al. (Physical chemistry chemical physics : PCCP, 2022)