Similarity based virtual screening: A tool for targeted library design
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Similarity based virtual screening : A tool for targeted library design. / Alvesalo, Joni K. O.; Siiskonen, Antti; Vainio, Mikko J.; Tammela, Päivi S M.; Vuorela, Pia M.
In: JOURNAL OF MEDICINAL CHEMISTRY, Vol. 49, No. 7, 06.04.2006, p. 2353-2356.Research output: Contribution to journal › Article › Scientific › peer-review
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TY - JOUR
T1 - Similarity based virtual screening
T2 - A tool for targeted library design
AU - Alvesalo, Joni K. O.
AU - Siiskonen, Antti
AU - Vainio, Mikko J.
AU - Tammela, Päivi S M.
AU - Vuorela, Pia M.
PY - 2006/4/6
Y1 - 2006/4/6
N2 - 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.
AB - 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.
KW - INHIBITORS
KW - DISCOVERY
KW - CHLAMYDIA
KW - DISEASE
U2 - 10.1021/jm051209w
DO - 10.1021/jm051209w
M3 - Article
VL - 49
SP - 2353
EP - 2356
JO - JOURNAL OF MEDICINAL CHEMISTRY
JF - JOURNAL OF MEDICINAL CHEMISTRY
SN - 0022-2623
IS - 7
ER -