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Updated: Mar 3, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target
Xia Wang1, Yihang Shen2, Shiwei Wang2
1State Key Laboratory of Bioreactor Engineering, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China.
PharmMapper, a drug target identification tool, now features a significantly expanded database for identifying potential drug candidates. This updated web server offers statistically ranked results and an improved interface for drug discovery.
Area of Science:
- Computational chemistry
- Drug discovery
- Bioinformatics
Background:
- PharmMapper is a web server for drug target identification using reversed pharmacophore matching.
- The initial version contained over 7000 target pharmacophores from crystal structures.
Purpose of the Study:
- To introduce a new, enhanced version of the PharmMapper web server.
- To expand the pharmacophore database and improve target identification capabilities.
Main Methods:
- Developed an expanded pharmacophore database with 23,236 proteins.
- Incorporated statistically meaningful ranking using standard scores.
- Improved the user interface for enhanced usability.
Main Results:
- The database now includes 16,159 druggable and 51,431 ligandable pharmacophore models.
- Expanded coverage to 450 indications and 4800 molecular functions.
- The new version provides statistically ranked drug targets.
Conclusions:
- The updated PharmMapper web server offers a more comprehensive resource for drug target identification.
- Enhanced data and features facilitate efficient drug discovery and development.
- The tool is freely accessible online for researchers.
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