國家衛生研究院 NHRI:Item 3990099045/8122
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    题名: TIPdb-3D: The three-dimensional structure database of phytochemicals from Taiwan indigenous plants
    作者: Tung, CW;Lin, YC;Chang, HS;Wang, CC;Chen, IS;Jheng, JL;Li, JH
    贡献者: National Environmental Health Research Center
    摘要: The rich indigenous and endemic plants in Taiwan serve as a resourceful bank for biologically active phytochemicals. Based on our TIPdb database curating bioactive phytochemicals from Taiwan indigenous plants, this study presents a three-dimensional (3D) chemical structure database named TIPdb-3D to support the discovery of novel pharmacologically active compounds. The Merck Molecular Force Field (MMFF94) was used to generate 3D structures of phytochemicals in TIPdb. The 3D structures could facilitate the analysis of 3D quantitative structure-activity relationship, the exploration of chemical space and the identification of potential pharmacologically active compounds using protein-ligand docking.
    日期: 2014-06-13
    關聯: Database. 2014 Jun 13;2014:Article ID bau055.
    Link to: http://dx.doi.org/10.1093/database/bau055
    JIF/Ranking 2023: http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=NHRI&SrcApp=NHRI_IR&KeyISSN=1758-0463&DestApp=IC2JCR
    Cited Times(Scopus): http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84987657364
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