Enables substantially improved binding pose prediction. IFPTarget is a customized virtual target identification method, which uses an interaction fingerprinting (IFP) method for target-specific interaction analyses and a comprehensive index (Cvalue) for target ranking. IFPTarget prediction leads to the identification of the metallo-β-lactamase VIM-2 as a target for quercetin as validated by enzymatic inhibition assays.
Key Laboratory of Drug Targeting and Drug Delivery System of Ministry of Education, West China School of Pharmacy, Sichuan University, Sichuan, China; Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Sichuan, China; College of Food and Bioengineering, Xihua University, Sichuan, China; Department of Chemistry, University of Oxford, Oxford, UK
IFPTarget funding source(s)
Supported by the National Natural Science Foundation of China (Grant No: 81502989), the Scientific Research Foundation of Sichuan University (Grant No. 20822041A4193), and the China Postdoctoral Science Foundation Funded Project (Grant No: 2015M570789).