Comparative molecule field analysis of photosystem Ⅱ inhibitors

Abstract

According to the comparative molecule field analysis (CoMFA), 3D- quantitative structure-activity relationships (3D-QSAR) of three series of different structural compounds were undertaken with the active conformers of the molecules chosen from DISCO(DIStance COmparisons) alignment model of different structural photosystem Ⅱ compounds as the templates. The results can be used to evaluate the reasonableness of the DISCO model and corresponding active conformation for the studied compounds, and to produce some clues for the design of new PSⅡ inhibitors.

Key words: INHIBITOR, THREE DIMENSIONAL STRUCTURE, STRUCTURE ACTIVITY RELATIONSHIP

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Zhou Weihong;Wen Xin;Sun Ming;Yang Xia;Liu Xiaolan;Miao Fangming. Comparative molecule field analysis of photosystem Ⅱ inhibitors[J]. Chin. J. Org. Chem., 2000, 20(4): 564-569.

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光系统Ⅱ(PSⅡ)抑制剂的比较分子场研究