Cited 18 time in
- Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors = PTPMT1 탈인산화효소의 저해제 개발을 위한 구조기반 가상검색
- H Park; S Y Kim; A Kyung; Tae-Sung Yoon; S E Ryu; Dae Gwin Jeong
- Bibliographic Citation
- Bioorganic & Medicinal Chemistry Letters, vol. 22, no. 2, pp. 1271-1275
- Publication Year
- Dual-specificity protein tyrosine phosphatase localized to mitochondrion 1 (PTPMT1) has recently proved to be a promising therapeutic target for the treatment of type II diabetes. Herein we report the first example for a successful application of the structure-based virtual screening to identify the novel inhibitors of human PTPMT1. These inhibitors were computationally screened for having desirable physicochemical properties as a drug candidate and reveal a high potency with IC 50 values ranging from 0.7 to 17.3 μM. Therefore, they deserve consideration for further development by structure-activity relationship studies to optimize the antidiabetic activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of PTPMT1 are addressed in detail.
- Antidiabetic agentsDockingInhibitorPTPMT1Virtual screening
- Appears in Collections:
- Critical Diseases Diagnostics Convergence Research Center > 1. Journal Articles
Division of Research on National Challenges > Bionanotechnology Research Center > 1. Journal Articles
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