Similarity based virtual screening: A tool for targeted library design
Research output: Contribution to journal › Article › Scientific › peer-review
|Number of pages||4|
|Journal||JOURNAL OF MEDICINAL CHEMISTRY|
|Publication status||Published - 6 Apr 2006|
|Publication type||A1 Journal article-refereed|
High throughput screening drug discovery utilizes large and expensive compound libraries. As an alternative, a smaller targeted library can be constructed with the aid of the 3D structure of the target molecule. We used the X-ray crystal structure of a protein homologous to the selected target in creation of a small focused library and evaluated inhibition potential of this library against Chlamydia pneumoniae, a common pathogen recently linked to atherosclerosis and risk of myocardial infarction.
- INHIBITORS, DISCOVERY, CHLAMYDIA, DISEASE