Pharmacophore-based virtual screening: The discovery of novel methionyl-tRNA synthetase inhibitors

Su Yeon Kim; Yeon Sook Lee; Taehee Kang; Sunghoon Kim; Jeewoo Lee

doi:10.1016/j.bmcl.2006.06.057

Pharmacophore-based virtual screening: The discovery of novel methionyl-tRNA synthetase inhibitors

Su Yeon Kim, Yeon Sook Lee, Taehee Kang, Sunghoon Kim, Jeewoo Lee

Department of Pharmacy

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

We have performed virtual screening of a chemical database of 508,143 commercially available chemicals to search for new methionyl-tRNA synthetase (MetRS) inhibitors. In this study, potent lead compounds with a novel skeleton, including compound 27 with IC₅₀ = 237 nM, were successfully identified as Escherichia coli MetRS inhibitors.

Original language	English
Pages (from-to)	4898-4907
Number of pages	10
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	16
Issue number	18
DOIs	https://doi.org/10.1016/j.bmcl.2006.06.057
Publication status	Published - 2006 Sept 15

Bibliographical note

Funding Information:
This work was supported by a grant (03-PJ2-PG4-BD02-0001) from the Ministry of Health & Welfare, Republic of Korea.

All Science Journal Classification (ASJC) codes

Biochemistry
Molecular Medicine
Molecular Biology
Pharmaceutical Science
Drug Discovery
Clinical Biochemistry
Organic Chemistry

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10.1016/j.bmcl.2006.06.057

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title = "Pharmacophore-based virtual screening: The discovery of novel methionyl-tRNA synthetase inhibitors",

abstract = "We have performed virtual screening of a chemical database of 508,143 commercially available chemicals to search for new methionyl-tRNA synthetase (MetRS) inhibitors. In this study, potent lead compounds with a novel skeleton, including compound 27 with IC50 = 237 nM, were successfully identified as Escherichia coli MetRS inhibitors.",

author = "Kim, {Su Yeon} and Lee, {Yeon Sook} and Taehee Kang and Sunghoon Kim and Jeewoo Lee",

note = "Funding Information: This work was supported by a grant (03-PJ2-PG4-BD02-0001) from the Ministry of Health & Welfare, Republic of Korea. ",

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AU - Kim, Su Yeon

AU - Lee, Yeon Sook

AU - Kang, Taehee

AU - Kim, Sunghoon

AU - Lee, Jeewoo

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PY - 2006/9/15

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AB - We have performed virtual screening of a chemical database of 508,143 commercially available chemicals to search for new methionyl-tRNA synthetase (MetRS) inhibitors. In this study, potent lead compounds with a novel skeleton, including compound 27 with IC50 = 237 nM, were successfully identified as Escherichia coli MetRS inhibitors.

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Pharmacophore-based virtual screening: The discovery of novel methionyl-tRNA synthetase inhibitors

Abstract

Bibliographical note

All Science Journal Classification (ASJC) codes

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