Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches

F Zheng, M Zhan, X Huang, MDMA Hameed… - Bioorganic & medicinal …, 2014 - Elsevier

Author(s): Fang Zheng , Xiaoqin Huang

Focus: MDMA


Butyrylcholinesterase (BChE) has been an important protein used for development of anti-cocaine medication. Through computational design, BChE mutants with∼ 2000-fold improved catalytic efficiency against cocaine have been discovered in our lab. To study drug …

Last updated: Jul 27, 2020