1 Chemistry Department, Federal University of Paraíba, Joao Pessoa, PB, 58051-970, Brazil.
2 Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina , Chapel Hill , North Carolina 27599, United States.
3 Department of Pharmaceutical Sciences, Federal University of Paraíba, João Pessoa, PB, 58051-970, Brazil.
4 Department of Organic Chemistry II, University of the Basque Country UPV/EHU, Leioa 48940, Spain.
5 IKERBASQUE, Basque Foundation for Science, 48011 Bilbao, Biscay, Spain.