Document Report Card

ID: ALA1146090

Journal: J Med Chem

Title: Similarity based virtual screening: a tool for targeted library design.

Authors: Alvesalo JK, Siiskonen A, Vainio MJ, Tammela PS, Vuorela PM.

Abstract: 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.

CiteXplore: 16570931

DOI: 10.1021/jm051209w