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Xiang-Qun Xie

Xiang-Qun Xie

University of Pittsburgh

Director/ Professor


Dr. Xie is an expert in Medicinal Chemistry, Computational Chemistry/Biology and Biophysics with research focuses on GPCR chemical genomics, in-silico design/cheminformatics virtual screening method development, medicinal chemistry synthesis and recombinant GPCR membrane protein NMR structural biology. Xie received his Pharmacy B. S. degree in 1982 from the Second Military Medical University in Shanghai, China, his Ph.D. in Medicinal Chemistry from the School of Pharmacy, University of Connecticut, 1993, and followed by a Biophysics Post-doctoral training at MIT Francis Bitter National Magnet Laboratory. In addition, he received an Executive MBA degree in 2003. Currently, He is currently a tenured Professor at the Dept of Pharmaceutical Sciences and Drug Discovery Institute (UP-DDI). He is the Principal Investigator of an integrated research laboratory, consisting of CompuGroup, BioGroup and ChemGroup ( and also a Founding Director of Computational Chemical Genomics Screening (CCGS) Center ( at University of Pittsburgh. Dr. Xie is co-PI/core director of the NIH funded Pittsburgh Center for Chemical Methodologies & Library Development (UPCMLD) and NCI/SAIC funded University of Pittsburgh Center for Diversity Chemistry (UP-CDC). He was co-PI of the Pittsburgh Molecular Library Screening Center (PMLSC) which was previously funded by the NIH Roadmap Initiative. He also holds joint faculty positions at the Departments of Computational Biology and Structural Biology, and Pitt Cancer Institute MT/DD Program. Before he joined Pitt, he was an Associate Professor and a Founding Director of Pharmacoinformatics Research Center in the College of Pharmacy at University of Houston Texas. He held several joint faculty positions at the Institute for Molecular Design (MDL), Texas Learning Computing Center (TLCC), and the Keck Center for Computational & Structural Biology, served as an Advisory Committee Member for the NIH Pharmacoinformatics Training Program at Houston Gulf Coast Consortium (GCC), and was a Director of the Chemistry Coordinating Unit for GCC-Chemical Genomics Screening Center. Prior to UH, Dr. Xie was a Director of the IMS NMR Lab and a joint faculty member of the School of Pharmacy at the University of Connecticut for over 10 years. Currently, Dr. Xie is a regular member of the US NIH BPNS Study Section Review Panel, an oversea expert reviewer for the Chinese Natural Science Foundation Review Panel, an invited guest editor for AAPS Journal, and an editorial board of American Journal of Molecular Biology. He also served as an ad hoc reviewer for NIH study section panels (BLIRC, MSFD, ZRG1, ZDA1 MXL-F) and an expert reviewer of the MCMB grant for MRC United Kingdom. He was invited as an International Assessment Panelist for Fudan University, a member of the Board of Directors of the Chinese Association of Professionals in Science and Technology (CAPST), and a Chair of the CAPST-Biomedical & Pharmaceutical Society. He was also a reviewer for many peer-reviewed scientific journals and a consultant for pharma and biotech companies. He has over 100 book chapters, journal articles, patents, abstracts and presentations, as well as 7 new drug discovery patents.


GPCR CB2 membrane protein structure/function studies and small molecule drug discovery