Department of Chemistry
Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library
© The Royal Society of Chemistry 2014. Amentoflavone has been identified as a JAK2 inhibitor by structure-based virtual screening of a natural product library. In silico optimization using the DOLPHIN model yielded analogues with enhanced potency against JAK2 activity and HCV activity in cellulo. Molecular modeling and kinetic experiments suggested that the analogues may function as Type II inhibitors of JAK2.
Source Publication Title
Royal Society of Chemistry
Link to Publisher's Edition
Ma, Dik-Lung, Daniel Shiu-Hin Chan, Guo Wei, Hai-Jing Zhong, Hui Yang, Lai To Leung, Elizabeth A. Gullen, Pauline Chiu, Yung-Chi Cheng, and Chung-Hang Leung. "Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library." Chemical Communications 50.90 (2014): 13885-13888.