Hui-Peng Song, Hui Zhang, Rui Hu, Hong-He Xiao, Hua Guo, Wei-Hong Yuan, Xin-Tong Han, Xin-Yi Xu, Xin Zhang, Zi-Xuan Ding, Ming-Yue Zhao, Ting-Guo Kang, Hui-Yang Sun, An Chang, Yue-Hua Chen, Ming Xie
Lead compound is an important concept for modern drug discovery. In this study, a new concept of lead chemome and an efficient strategy to discover lead chemome were proposed. Compared with the concept of lead compound, lead chemome can provide not only the starting point for drug development, but also the direction for structure optimization. Two traditional Chinese medicines of Mahonia bealei and Mahonia fortunei were used as examples to illustrate the strategy. Based on natural chromatogram-effect correlation (NCEC), berberine, palmatine and jatrorrhizine were discovered as acetylcholinesterase (AchE) inhibitors...
September 2, 2021: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences