PyMine: a PyMOL plugin to integrate and visualize data for drug discovery

BMC Research Notes

Zhijun Li¹  Rajan Chaudhari¹ 

[1] Department of Chemistry & Biochemistry, University of the Sciences in Philadelphia, Philadelphia 19104, PA, USA

关键词: Drug discovery;    Data visualization;    Data integration;    PyMOL;   

Others  :  1229548
DOI  :  10.1186/s13104-015-1483-3

 received in 2015-04-09, accepted in 2015-09-21,  发布年份 2015

【 摘 要 】

Background

Tremendous amount of chemical and biological data are being generated by various high-throughput biotechnologies that could facilitate modern drug discovery. However, lack of integration makes it very challenging for individual scientists to access and understand all the data related to a specific protein of interest.

Findings

To overcome this challenge, we developed PyMine, a PyMOL plugin that retrieves chemical, structural, pathway and other related biological data of a receptor and small molecules from a variety of high-quality databases and presents them in a graphic and uniformed way.

Conclusions

Developed as an interactive and user-friendly tool, PyMine can be used as a central data-hub for users to access and visualize multiple types of data and to generate new ideas intuitively for structure-based molecule design.

【 授权许可】

   
2015 Chaudhari and Li.

【 图 表 】

Fig.1.

Fig.2.

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