PharmMapper

PharmMapper is a web server that helps to identify potential drug targets using a pharmacophore mapping approach. The server hosts a large repertoire of pharmacophore models annotated from various sources and finds the best mapping poses of the query molecule against all the pharmacophore models in the database, listing the top N best-fitted hits with appropriate target annotations. PharmMapper is highly efficient and robust, using a triangle hashing mapping method, and only takes an average of 1 hour to screen the entire database. The tool is freely accessible and has been successful in finding proper targets in retrospective benchmarking tests.

Topic

Drug discovery;Molecular modelling;Small molecules

Detail

  • Operation: Molecular docking;Enrichment analysis;Protein binding site prediction

  • Software interface: Web service

  • Language: PHP;Python

  • License: -

  • Cost: Free

  • Version name: -

  • Credit: Major State Basic Research Project, National Natural Science Foundation of China, Shanghai Committee of Science and Technology, 863 Hi-Tech Program of China, Major National Scientific and Technological Project of China, 111 Project, Shanghai Rising-Star Program.

  • Input: -

  • Output: -

  • Contact: lilab_ecust@163.com

  • Collection: -

  • Maturity: -

Publications

  • PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach.
  • Liu X, et al. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. 2010; 38:W609-14. doi: 10.1093/nar/gkq300
  • https://doi.org/10.1093/nar/gkq300
  • PMID: 20430828
  • PMC: PMC2896160

Download and documentation

    Currently not available or not maintained.

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