Nucleic Acids Research· 2017Q1
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database
- 1,593citations
- Q1SCImago
- 2017year
Short summary
The updated PharmMapper web server now features a pharmacophore database six times larger, containing 23,236 proteins with 16,159 druggable and 51,431 ligandable pharmacophore models, significantly expanding coverage for drug target identification.
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Key points
- PharmMapper's pharmacophore database has expanded sixfold to 23,236 proteins.
- The database now contains 16,159 druggable and 51,431 ligandable pharmacophore models.
- Coverage increased from 110 to 450 indications and 349 to 4800 molecular functions.
- The updated server uses standard scores for statistically meaningful ranking of drug targets.
- An improved user interface is also featured.
AI-generated from the title and abstract; the full text is not read.
Abstract
The PharmMapper online tool is a web server for potential drug target identification by reversed pharmacophore matching the query compound against an in-house pharmacophore model database. The original version of PharmMapper includes more than 7000 target pharmacophores derived from complex crystal structures with corresponding protein target annotations. In this article, we present a new version of the PharmMapper web server, of which the backend pharmacophore database is six times larger than the earlier one, with a total of 23 236 proteins covering 16 159 druggable pharmacophore models and 51 431 ligandable pharmacophore models. The expanded target data cover 450 indications and 4800 molecular functions compared to 110 indications and 349 molecular functions in our last update. In addition, the new web server is united with the statistically meaningful ranking of the identified drug targets, which is achieved through the use of standard scores. It also features an improved user interface. The proposed web server is freely available at http://lilab.ecust.edu.cn/pharmmapper/.
The authors' abstract, as published at the source. Nucleic Acids Research, 2017 · DOI ↗
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Field: Computational Theory and Mathematics
Computational Theory and MathematicsComputer Science