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Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors

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Title
Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors
Author(s)
Park, H; Soyoung Lee; Sungwoo Hong
Publication Date
2015-09
Journal
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, v.25, no.18, pp.3784 - 3787
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Abstract
p38 mitogen-activated protein kinase (MAPK) is a promising target for the development of therapeutics for various immunological diseases. We designed and synthesized aminothiazole-based p38 MAPK inhibitors of with IC50 values ranging from 0.1 to 2 mu M by means of the structure-based de novo design of phenyl-(2-phenylamino-thiazol-5-yl)-methanone scaffold. Because these newly identified inhibitors were also screened for having desirable physicochemical properties as a drug candidate, they deserve consideration for further investigation as anti-inflammatory drugs. Structural features relevant to the stabilization of the newly identified inhibitors in the ATP-binding site of p38 MAPK are discussed in detail. (C) 2015 Elsevier Ltd. All rights reserved
URI
https://pr.ibs.re.kr/handle/8788114/1886
ISSN
0960-894X
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Center for Catalytic Hydrocarbon Functionalizations(분자활성 촉매반응 연구단) > Journal Papers (저널논문)
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