Title |
Mapping small molecule binding data to structural domains
|
---|---|
Published in |
BMC Bioinformatics, December 2012
|
DOI | 10.1186/1471-2105-13-s17-s11 |
Pubmed ID | |
Authors |
Felix A Kruger, Raghd Rostom, John P Overington |
Abstract |
Large-scale bioactivity/SAR Open Data has recently become available, and this has allowed new analyses and approaches to be developed to help address the productivity and translational gaps of current drug discovery. One of the current limitations of these data is the relative sparsity of reported interactions per protein target, and complexities in establishing clear relationships between bioactivity and targets using bioinformatics tools. We detail in this paper the indexing of targets by the structural domains that bind (or are likely to bind) the ligand within a full-length protein. Specifically, we present a simple heuristic to map small molecule binding to Pfam domains. This profiling can be applied to all proteins within a genome to give some indications of the potential pharmacological modulation and regulation of all proteins. |
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Geographical breakdown
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France | 1 | 1% |
Germany | 1 | 1% |
China | 1 | 1% |
Spain | 1 | 1% |
Unknown | 66 | 92% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Researcher | 19 | 26% |
Student > Ph. D. Student | 11 | 15% |
Student > Master | 11 | 15% |
Student > Postgraduate | 7 | 10% |
Student > Bachelor | 6 | 8% |
Other | 15 | 21% |
Unknown | 3 | 4% |
Readers by discipline | Count | As % |
---|---|---|
Agricultural and Biological Sciences | 25 | 35% |
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Computer Science | 8 | 11% |
Pharmacology, Toxicology and Pharmaceutical Science | 4 | 6% |
Other | 10 | 14% |
Unknown | 2 | 3% |