中药作用机理的生物信息学平台搭建.PPT

Dr. Zhiwei Cao College of life science and biotechnology, Tongji University; Shanghai Center for Bioinformation Technology 1. Introduction: Mechanism of Herbs Multiple Ingredients, Multiple Targets, Network Questions about Herb Mechanism What ingredients are active compounds? What are their potential targets? What are their targeted pathways? How can we analyze the network? ….. 2. Platform: Resources and Technologies 2.1 Herbal Ingredient and Content database（HICD) Above 30 related journals ; 3200 literatures being curated; Herbs from 39 countries; 15,000 ingredient with Content information; Including all potential factors affecting ingredient content Collecting time, site herbal part… Processing methods Method to measure the content Therapeutic effects Diseases… 2.2. Computational Method to Identify Potential Targets (INVDOCK) US patent authorized: 6,519,611 B1 (Feb.11.2003 ) German Merck testing in 2006 Getting improved both in BIDD and SCBIT Getting Co-developed with Bridgeway high-computing company ( ) in Oct, 2007 2.3 Target network construction based on （ISHIP） 1.3 Integrated Source of Human interacting proteins（ISHIP） Supporting various queries 支持多种检索方式 Protein accession Gene symbol GeneID IPI accession Keyword BLAST 3. Case study: ganoderic acid D Main ingredient of tri-terpenoids in Ganoderma lucidum (灵芝）. Inhibit hela cell proliferation? apoptosis Target: 2-DE: 21 proteins Question: what’s the target pathway? Minimization :21 proteins (steiner) 4. Future development Improvement of target-searching technology ( with BIDD, NUS) Clustering and similarity search of active ingredients (with BIDD and Tongji) Herbal toxicity study ( with Shanghai TCM university) Formula validation…. ( with ….? ) Collaborative Opportunities Experts on Chinese Herb Experts on computational chemistry and physics Experts on biologists … Acknowledgements Funding from Shanghai Commission of Science and Technology 863 funding from China Ministry