Xiang-Qun
University of Pittsburgh, USA
Title: An Alzheimer’s Disease Domain-Specific2 Chemogenomics Knowledgebase for Polypharmacology3 and Target Identification Research
Biography
Biography: Xiang-Qun
Abstract
Alzheimer’s disease (AD) is one of the most complicated progressive neurodegeneration diseases that involve many genes, proteins, and their complex interactions. No effective medicines or treatments are available yet to stop or reverse the progression of the disease due to its polygenicnature. To facilitate discovery of new AD drugs and better understand the AD neurosignaling pathways involved, we have constructed an Alzheimer’s disease domain-specific chemo-genomics knowledgebase, AlzPlatform (www.cbligand.org/AD/)with cloud computing and sourcing functions. AlzPlatform is implemented with powerful computational algorithms, includ-ing our established TargetHunter, HTDocking, and BBB Predictor for target identification and polypharmacology analysis for AD research. The platform has assembled various AD-related chemogenomics data records, including 928genes and 320 proteinsrelated to AD, 194 AD drugs approved or in clinical trials, and 405 188 chemicals associated with 1 023 137 records of reportedbioactivities from 38 284 corresponding bioassays and 10 050 references. Furthermore, we have demonstrated the application of the AlzPlatform in three case studies for identification of multitargets and polypharmacology analysis of FDA-approved drugs and also for screening and prediction of new AD active small chemical molecules and potential novel AD drug targets by ourestablished TargetHunter and/or HTDocking programs. The predictions were confirmed by reported bioactivity data and our invitro experimental validation. Overall, AlzPlatform will enrich our knowledge for AD target identification, drug discovery, andpolypharmacology analyses and, also, facilitate the chemogenomics data sharing and information exchange/communications in aid of new anti-AD drug discovery and development.