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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 journalArticleScientificpeer-review

Harvard

Alvesalo, JKO, Siiskonen, A, Vainio, MJ, Tammela, PSM & Vuorela, PM 2006, 'Similarity based virtual screening: A tool for targeted library design', JOURNAL OF MEDICINAL CHEMISTRY, vol. 49, no. 7, pp. 2353-2356. https://doi.org/10.1021/jm051209w

APA

Alvesalo, J. K. O., Siiskonen, A., Vainio, M. J., Tammela, P. S. M., & Vuorela, P. M. (2006). Similarity based virtual screening: A tool for targeted library design. JOURNAL OF MEDICINAL CHEMISTRY, 49(7), 2353-2356. https://doi.org/10.1021/jm051209w

Vancouver

Alvesalo JKO, Siiskonen A, Vainio MJ, Tammela PSM, Vuorela PM. Similarity based virtual screening: A tool for targeted library design. JOURNAL OF MEDICINAL CHEMISTRY. 2006 Apr 6;49(7):2353-2356. https://doi.org/10.1021/jm051209w

Author

Alvesalo, Joni K. O. ; Siiskonen, Antti ; Vainio, Mikko J. ; Tammela, Päivi S M. ; Vuorela, Pia M. / Similarity based virtual screening : A tool for targeted library design. In: JOURNAL OF MEDICINAL CHEMISTRY. 2006 ; Vol. 49, No. 7. pp. 2353-2356.

Bibtex - Download

@article{b27f0ef474834f3da79164c417e34a96,
title = "Similarity based virtual screening: A tool for targeted library design",
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.",
keywords = "INHIBITORS, DISCOVERY, CHLAMYDIA, DISEASE",
author = "Alvesalo, {Joni K. O.} and Antti Siiskonen and Vainio, {Mikko J.} and Tammela, {P{\"a}ivi S M.} and Vuorela, {Pia M.}",
year = "2006",
month = "4",
day = "6",
doi = "10.1021/jm051209w",
language = "English",
volume = "49",
pages = "2353--2356",
journal = "JOURNAL OF MEDICINAL CHEMISTRY",
issn = "0022-2623",
publisher = "AMER CHEMICAL SOC",
number = "7",

}

RIS (suitable for import to EndNote) - Download

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 -