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ASD: a comprehensive database of allosteric proteins and modulators.
Zhimin Huang1, Liang Zhu, Yan Cao
1The Department of Pathophysiology, Chemical Biology Division, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, Shanghai Universities E-Institutes, Shanghai Jiao-Tong University School of Medicine, Shanghai 200025, China.
Nucleic Acids Research
|November 6, 2010
Summary
The AlloSteric Database (ASD) centralizes information on allosteric molecules, aiding researchers in identifying drug targets and designing novel allosteric drugs. This resource facilitates the study of protein regulation and therapeutic development.
Area of Science:
- Biochemistry and Molecular Biology
- Pharmacology
- Bioinformatics
Background:
- Allostery is a critical mechanism for protein function regulation in metabolic and signaling pathways.
- Existing allosteric information is fragmented, hindering scientific progress in this field.
Purpose of the Study:
- To introduce the AlloSteric Database (ASD), a comprehensive online resource for allosteric molecules.
- To provide a centralized platform for the display, search, and analysis of allosteric protein and modulator data.
Main Methods:
- Development of a curated online database (ASD) integrating structural, functional, and annotation data for allosteric molecules.
- Annotation of proteins with details on allostery, biological processes, and diseases.
- Annotation of modulators with binding affinity, physicochemical properties, and therapeutic areas.
Main Results:
- ASD currently contains 336 allosteric proteins from 101 species and 8095 modulators (activators, inhibitors, regulators).
- The database facilitates the identification of specific allosteric sites for drug target validation.
- ASD aids in investigating allosteric targets for compounds and supports novel allosteric drug design.
Conclusions:
- ASD serves as a valuable platform for biologists and medicinal chemists to advance allosteric research.
- The database supports the identification of potential drug targets and the design of new allosteric therapeutics.
- ASD is freely accessible at http://mdl.shsmu.edu.cn/ASD/ for the scientific community.
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