Drug design of new 5-HT6R antagonists aided by artificial neural networks
Aldineia P. da Silva, Laise P. A. Chiari, Amanda Ribeiro Guimarães, Kathia Maria Honorio, Albérico B. F. da Silva · Journal of Molecular Graphics and Modelling · 2021
above 9.00. Furthermore, our results suggest that the presence of halogen atoms (especially bromine) linked to the aromatic ring at para-position (HYD) contribute considerably to the increase of the biological activity values while bulky groups in the PI position do not culminate with the increase antagonist activity of compounds here analyzed. Finally, the ADME/Tox profile as well as the synthetic accessibility of new proposed compounds qualify them to go on further with experimental procedures and thenceforward their antagonist effects can be confirmed.