PADFrag Edit

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Basic information
Short name PADFrag
Full name Pesticide And Drug Fragments
Description A Database Built for the Exploration of Bioactive Fragment Space for Drug Discovery.
URL http://chemyang.ccnu.edu.cn/ccb/database/PADFrag
Year founded
Last update & version
Availability Free to academic users only
Contact information
University/Institution hosted Central China Normal University
Address Key Laboratory of Pesticide & Chemical Biology of Ministry of Education College of Chemistry, Central China Normal University
City Wuhan
Province/State Hubei
Country/Region China
Contact name Guang-Fu Yang
Contact email gfyang@mail.ccnu.edu.cn
Data information
Data object
  • NA
Data type
  • Protein
Database category
  • Structure
  • Health and medicine
Major organism
  • NA
Keyword
  • drug fragments
  • bioactive fragment
  • drug disvovery
Publications
  • PADFrag: A Database Built for the Exploration of Bioactive Fragment Space for Drug Discovery. [PMID: 30134653]
    Jing-Fang Yang, Fan Wang, Wen Jiang, Guang-You Zhou, Cheng-Zhang Li, Xiao-Lei Zhu, Ge-Fei Hao, Guang-Fu Yang

    Structural analyses of drugs and pesticides can enable the identification of new bioactive compounds with novel and diverse scaffolds as well as improve our understanding of the bioactive fragment space. The Pesticide And Drug Fragments (PADFrag) database is a unique bioinformatic-cheminformatic cross-referencing resource that combines detailed bioactive fragment data and potential targets with a strong focus on quantitative, analytic, and molecular-scale information for the exploration of bioactive fragment space for drug discovery ( http://chemyang.ccnu.edu.cn/ccb/database/PADFrag/ ). The main applications of PADFrag are the analysis of the privileged structures within known bioactive molecules, ab initio molecule library design, and core fragment discovery for fragment-based drug design. Other potential applications include prediction of fragment interactions and general pharmaceutical research.

    J Chem Inf Model 2018:58(9)

    0 Citations (from Europe PMC, 2019-01-19)

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Record metadata

  • Created on: 2019-01-04
    • ***ina@***c.cn [2019-01-23]
    • ***d@***c.cn [2019-01-12]
    • ***d@***c.cn [2019-01-12]
    • ***d@***c.cn [2019-01-04]

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