A Combined Molecular Docking and Density Functional Theory Nuclear Magnetic Resonance Study of Trans-Dehydrocrotonin Interacting with COVID-19 Main Protease and Severe Acute Respiratory Syndrome Coronavirus 2 3C-Like Protease.

Autor: Cardoso EF; Departament of Chemistry, Federal University of Jataí, Jataí-GO - 75801-615, Brasil., Giacomello TF; Departament of Chemistry, Federal University of Jataí, Jataí-GO - 75801-615, Brasil., Rocha de Oliveira LL; Departament of Chemistry, Federal University of Jataí, Jataí-GO - 75801-615, Brasil., da Silva TA; Natural Science Faculty, Federal University of Para, ICEN UFPA Belém-PA - 66075-110, Brasil., de Jesus Chaves Neto AM; Natural Science Faculty, Federal University of Para, ICEN UFPA Belém-PA - 66075-110, Brasil., Da Silva Mota GV; Natural Science Faculty, Federal University of Para, ICEN UFPA Belém-PA - 66075-110, Brasil., Souza Siqueira MR; Department of Exact and Technological Sciences, UNIFAP, Campus Marco Zero do EquadorMacapá-AP, 68903-419, Brasil., Paranhos Costa FL; Departament of Chemistry, Federal University of Jataí, Jataí-GO - 75801-615, Brasil.

Publikováno v: Journal of nanoscience and nanotechnology [J Nanosci Nanotechnol] 2021 Nov 01; Vol. 21 (11), pp. 5399-5407.