A molecular modeling analysis of novel non-hydroxamate inhibitors of TACE

James E. Sheppeck,Andrew Tebben,John L. Gilmore,Anle Yang,Zelda R. Wasserman,Carl P. Decicco,James J.-W. Duan

Bioorganic & Medicinal Chemistry Letters（2007）

引用 27|浏览11

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摘要

We have developed a number of hydroxamate and non-hydroxamate inhibitors of TACE that possess the selective quinolinemethoxy P1′ group. Using the X-ray co-crystal structure of our hydroxamate IK682 and TACE, and a co-crystal structure of a pyrimidinetrione in MMP-8, we have developed a highly plausible pharmacophore model of how our pyrimidinetrione and hydantoin inhibitors bind to TACE.

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关键词

TACE,TACE inhibitor,Modeling,Hydantoin,Barbiturate,Hydroxamate,MMP,Metalloprotease,Metalloproteinase,TNF,Non-hydroxamate

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