Editor Profile
Lirong Wang
University/Organization: University of Pittsburgh School of Pharmacy
Country: United States
Biography
Dr. Wang has worked predominately in in drug discovery/design by developing machine learning approaches for chemogenomics/chemoinformatics data analysis. His early work focused on innovations in design of computational algorithms for structure-activity analysis of small molecule compounds and methods to analyze protein-ligand interactions. He subsequently leveraged the new methods to determine previously undiscovered associations of ligands and proteins. He has developed the ligand similarity-based target identification tool –TargetHunter and protein structure based HTDocking tool as well as PAINS remover and BBB predictor, etc. with more than 5000 users around the world.
Dr. Wang is also the pioneer who presented the concept of disease-specific chemogenomics databases for polypharmacology research. He has explored the potential use of innovative tools developed above to improve our understanding of mechanism of drug actions focusing on those disease-related protein targets. For example, both TargetHunter and HTDocking have been employed to study the interactions between anti-AD drugs and AD related targets (JCIM coverpage story). Such approached have also been used to study the polypharmacology effects of abused drugs and the mechanism of synergistic effects of components of Traditional Chinese Medicine, as well as research for stem cell, colon cancer and cardiovascular diseases.
Research Interest
Drug discovery/design, Chemogenomics/Chemoinformatics database, Structure-based and ligand-based drug design, Signaling pathway, Data mining & machine learning algorithms, Cancer genomics and Drug combination
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