Synthesis and evaluation of phenylisoserine derivatives for the SARS-CoV 3CL protease inhibitor

Hiroyuki Konno; Takumi Onuma; Ikumi Nitanai; Masaki Wakabayashi; Shigekazu Yano; Kenta Teruya; Kenichi Akaji

doi:10.1016/j.bmcl.2017.04.056

Synthesis and evaluation of phenylisoserine derivatives for the SARS-CoV 3CL protease inhibitor

Hiroyuki Konno, Takumi Onuma, Ikumi Nitanai, Masaki Wakabayashi, Shigekazu Yano, Kenta Teruya, Kenichi Akaji

MED - United Centers for Advanced Research and Translational Medicine (ART)

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

25 Citations (Scopus)

Abstract

Synthesis and evaluation of new scaffold phenylisoserine derivatives connected with the essential functional groups against SARS CoV 3CL protease are described. The phenylisoserine backbone was found by simulation on GOLD software and the structure activity relationship study of phenylisoserine derivatives gave SK80 with an IC₅₀ value of 43 μM against SARS CoV 3CL R188I mutant protease.

Original language	English
Pages (from-to)	2746-2751
Number of pages	6
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	27
Issue number	12
DOIs	https://doi.org/10.1016/j.bmcl.2017.04.056
Publication status	Published - 2017

Keywords

Cinnamoyl
Docking simulation
Phenylisoserine derivative
SARS 3CL protease
SARS CoV

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10.1016/j.bmcl.2017.04.056

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title = "Synthesis and evaluation of phenylisoserine derivatives for the SARS-CoV 3CL protease inhibitor",

abstract = "Synthesis and evaluation of new scaffold phenylisoserine derivatives connected with the essential functional groups against SARS CoV 3CL protease are described. The phenylisoserine backbone was found by simulation on GOLD software and the structure activity relationship study of phenylisoserine derivatives gave SK80 with an IC50 value of 43 μM against SARS CoV 3CL R188I mutant protease.",

keywords = "Cinnamoyl, Docking simulation, Phenylisoserine derivative, SARS 3CL protease, SARS CoV",

author = "Hiroyuki Konno and Takumi Onuma and Ikumi Nitanai and Masaki Wakabayashi and Shigekazu Yano and Kenta Teruya and Kenichi Akaji",

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language = "English",

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journal = "Bioorganic and Medicinal Chemistry Letters",

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T1 - Synthesis and evaluation of phenylisoserine derivatives for the SARS-CoV 3CL protease inhibitor

AU - Konno, Hiroyuki

AU - Onuma, Takumi

AU - Nitanai, Ikumi

AU - Wakabayashi, Masaki

AU - Yano, Shigekazu

AU - Teruya, Kenta

AU - Akaji, Kenichi

N1 - Funding Information: This work was supported in part by an Adaptable and Seamless Technology transfer Program (A-STEP) through target driven R&D, Japan Science and Technology Agency. Publisher Copyright: © 2017 Elsevier Ltd

PY - 2017

Y1 - 2017

N2 - Synthesis and evaluation of new scaffold phenylisoserine derivatives connected with the essential functional groups against SARS CoV 3CL protease are described. The phenylisoserine backbone was found by simulation on GOLD software and the structure activity relationship study of phenylisoserine derivatives gave SK80 with an IC50 value of 43 μM against SARS CoV 3CL R188I mutant protease.

AB - Synthesis and evaluation of new scaffold phenylisoserine derivatives connected with the essential functional groups against SARS CoV 3CL protease are described. The phenylisoserine backbone was found by simulation on GOLD software and the structure activity relationship study of phenylisoserine derivatives gave SK80 with an IC50 value of 43 μM against SARS CoV 3CL R188I mutant protease.

KW - Cinnamoyl

KW - Docking simulation

KW - Phenylisoserine derivative

KW - SARS 3CL protease

KW - SARS CoV

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M3 - Article

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AN - SCOPUS:85018900972

SN - 0960-894X

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EP - 2751

JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

IS - 12

ER -

Synthesis and evaluation of phenylisoserine derivatives for the SARS-CoV 3CL protease inhibitor

Abstract

Keywords

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