Lirong Wang

Assistant Professor


Dr. Lirong Wang is a Research Assistant Professor of Pharmaceutical Sciences, Scientific Administrator of Computational Chemical Genomics Screening (CCGS) Center, School of Pharmacy, University of Pittsburgh. Dr. Wang obtained his PhD degree in bioinformatics from University of Science and Technology of China in 2007. He then received postdoctoral training forcheminformatics and drug design in Dr. Xiang-Qun Xie group at the School of Pharmacy, University of Pittsburgh. He is the author or coauthor of more than 20 journal articles and has designed a lot of online tools for chemogenomics research, such as TargetHunter, AlzPlatform and Chemogenomics Database for Drug Abuse Research. Dr. Wang has served as ad hoc reviewer for AAPS Journal, JCIM, Bioinformatics, JMC, and Journal of Cheminformatics.


Area of Interest

His research mainly focuses on the structure-based and ligand-based drug design, signaling pathway, data mining & machine learning algorithms.

top publication

1. Shujing Sheng*, Jinxu Wang*, Lirong Wang*, Hong Liu, Peibo Li, Menghua Liu, Chaofeng Long, Chengshi Xie, Xiangqun Xie, Weiwei Su, “Network pharmacology Analyses of the Antithrombotic pharmacological mechanism of Fufang Xueshuantong capsule with experimental support using disseminated intravascular coagulation rats.” Journal of ethnopharmacology. 05/2014; DOI:10.1016/j.jep.2014.04.048(*these authors contributed equally).
2. Xiang-Qun Xie, Lirong Wang, Haibin Liu, Qin Ouyang, Cheng Fang, Weiwei Su “Chemogenomics knowledgebased polypharmacology analyses of drug abuse related G-protein coupled receptors and their ligands”. Frontiers in Pharmacology 2014; 5:3. DOI:10.3389/fphar.2014.00003
3. Liu H*, Wang L*, Lv M, Pei R, Li P, Pei Z, Wang Y, Su W, Xie X-Q: AlzPlatform: An Alzheimer's Disease Domain-specific Chemogenomics Knowledgebase for Polypharmacology and Target Identification Research Journal of Chemical Information and Modeling DOI: 10.1021/ci500004h Publication Date (Web): March 5, 2014 (*these authors contributed equally).
4. Lirong Wang, Xiang-Qun Xie "Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery?" Future Medicinal Chemistry, March 2014, Vol. 6, No. 3, Pages 247-249.
5. Xiaofei Chen, Yan Cao, Hai Zhang, Zhen Yu Zhu, Min Liu, Haibin Liu, Xuan Ding, Zhanying Hong, Wuhong Li, Diya Lv, Lirong Wang, Xianyi Zhuo, Junping Zhang, Xiang-Qun Sean Xie, Yifeng Chai “A comparative normal/failing rat myocardium cell membrane chromatographic analysis system for screening specific components that counteract doxorubicin-induced heart failure from Acontium carmichaeli. ” Analytical Chemistry 04/2014;
6. Lirong Wang and Xiang-Qun Xie “Chemogenomics database for Colon Cancer Research”, 2014
7. Haibin Liu, Fengyin Liang,Weiwei Su,Ning Wang,Mingliang Lv,Peibo Li,Zhong Pei,Yan Zhang,Xiang-Qun Xie,Lirong Wang,Yonggang Wang, “Lifespan extension by n-butanol extract from seed of Platycladus orientalis in Caenorhabditis elegans”, J Ethnopharmacol. 2013 May 20;147(2):366-72. doi: 10.1016/j.jep.2013.03.019. Epub 2013 Mar 21.PMID: 23523941
8. Matthew LaPorte , Sammi Tsegay , Ki Bum Hong , Chunliang Lu , Cheng Fang , Lirong Wang , Xiang-Qun (Sean) Xie , and Paul E. Floreancig “Construction of a Spirooxindole Amide Library through Nitrile Hydrozirconation-Acylation-Cyclization Cascade”. ACS Comb Sci. 2013 Jun 3 PMID:23731121
9. Yang P, Wang L, Feng R, Almehizia AA, Tong Q, Myint KZ, Ouyang Q, Alqarni MH, Wang L, Xie XQ. “Novel Triaryl Sulfonamide Derivatives as Selective Cannabinoid Receptor 2 Inverse Agonist and Osteoclast Inhibitor: Discovery, Optimization and Biological Evaluation.” J Med Chem. 2013 Mar 14;56(5):2045-58. doi: 10.1021/jm3017464. Epub 2013 Mar 1. PMID: 23406429
10. Ma C*, Wang L*, Yang P, Tong Q, Myint KZ, and Xie XQ. “LiCABEDS II. Modeling of Ligand Selectivity for G-protein Coupled Cannabinoid Receptors”, J Chem Inf Model. 2013 Jan 28;53(1):11-26. doi: 10.1021/ci3003914. Epub 2013 Jan 15 (*these authors contributed equally) PMID: 23278450
11. Lirong Wang, Chao Ma, Peter Wipf, Haibin Liu, Weiwei Su and Xiang-Qun Xie. “TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database”. AAPS J. 2013 Apr;15(2):395-406. doi: 10.1208/s12248-012-9449-z. Epub 2013 Jan 5. PMID:23292636
12. Manuj Tandon*, Lirong Wang*, Qi Xu, Xiang-Qun Xie, Peter Wipf* and Q. Jane Wang*. “A Targeted Library Screen Reveals a New Selective Inhibitor Scaffold for Protein Kinase D”. Plos One 2012;7(9):e44653. doi: 10.1371/journal.pone.0044653 (*these authors contributed equally) PMID: 23028574
13. Yang P, Myint KZ, Tong Q, Feng R, Cao H, Almehizia AA, Hamed AM, Wang L, Bartlow P, Gao Y, Gertsch J, Teramachi J, Kurihara N, Roodman GD, Cheng T, Xie XQ. “Lead Discovery, Chemistry Optimization and Biological Evaluation Studies of Novel Bi-amide Derivatives as CB2 Receptor Inverse Agonists and Osteoclast Inhibitors.” J Med Chem. 2012 Nov 26;55(22):9973-87. doi: 10.1021/jm301212u. Epub 2012 Oct 31. PMID: 23072339
14. Kay M. Brummond, John Goodell, Matthew LaPorte, Lirong Wang and Xiang-Qun Xie. “Synthesis and In Silico Screening of a Library of Carboline-Containing Compounds”. Beilstein J. Org. Chem. 2012, 8, 1048–1058. PMID:23019432
15. Kyaw-Zeyar Myint, Lirong Wang, Qin Tong and Xiang-Qun Xie. “Fingerprint-based Artificial Neural Networks QSAR (FANN-QSAR) for Ligand Biological Activity Predictions”. Mol. Pharm. 2012, 9(10):2912-23. PMID: 22937990
16. Ajay Srinivasan, Lirong Wang, Cari J. Cline,Zhaojun Xie,Robert W. Sobol, Xiang-Qun Xie and Barry Gold. “Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitors”. Biochemistry, 2012, 51 (31), pp 6246–6259. PMID: 22788932
17. Lirong Wang, Haibin Liu and Xiang-Qun Xie “HTDocking for Anti-Alzheimer's Disease”, 2013
18. Lirong Wang, Jinxu Wang and Xiang-Qun Xie “HTDocking for Antitussives”, 2013
19. Lirong Wang and Xiang-Qun Xie “HTDocking for Anti-Multiple Myeloma”, 2013
20. Lirong Wang and Xiang-Qun Xie “In silico Skin Allergen Predictor”,2013
21. Lirong Wang, Jinxu Wang and Xiang-Qun Xie “HTDocking for Immune Modulator of Small Molecule”,2013
22. Lirong Wang, Jinxu Wang and Xiang-Qun Xie “HTDocking for Anti-Thrombosis”, 2013
23. Peng Yang, Lirong Wang and Xiang-Qun Xie. Latest advances in novel cannabinoid CB2 ligands for drug abuse and their therapeutic potential. Future 2012, 4(2):187-204.
24. Lirong Wang*, Chao Ma* and Xiang-Qun Xie. “Linear and Non-linear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality”, Molecular Informatics, 2012. 31(1): p. 85-95. (*these authors contributed equally)
25. Yuxun Zhang, Zhaojun Xie, Lirong Wang, Brielle Schreiter, John S Lazo, Jurg Gertsch, Xiang-Qun Xie. “Mutagenesis and computer modeling studies of a GPCR conserved residue W5.43(194) in ligand recognition and signal transduction for CB2 receptor”, Int Immunopharmacol. 11( 9), Sep. 2011, 1303–1310