CAFFEINE ANALOGUES WITH ANTIOXIDANT AND EPITHELIAL ANTICANCER POTENTIAL

ISBN-13: 9786204603711 / Angielski / Miękka / 116 str.

Josivan da Silva Costa; Ryan da Silva Ramos; Cleydson Breno Rodrigues dos Santos

Opis

This book comprises an in silico study of caffeine analogues for obtaining drug candidates with potential antioxidant and epithelial anticancer activity. To this end, molecular modeling methods, statistical analysis, virtual screening techniques from pharmacophore, obtaining molecules in the ZINC database, validation of a computational method to obtain chemical-quantitative descriptors, as well as pharmacokinetic and toxicological analyses and molecular docking were used. As a result, two molecules were obtained with top characteristics that allow their indication for further analysis in order to experimentally prove the theoretical results obtained.

O autorze

Costa, Josivan da SilvaJosivan da Silva Costa - doctor in biotechnology and teacher in the Amapá public school system.Ryan da Silva Ramos - doctor in biotechnology.Karina da Silva lopes Costa - Pharmacist.Cleydson Breno Rodrigues dos Santos - doctor in biotechnology and Professor at UNIFAP.Williams Jorge da Cruz Macedo - doctor in chemistry and professor at UFRA.