3D-QSAR of Non-peptidyl Caspase-3 Enzyme Inhibitors Using CoMFA and CoMSIA

Three dimensional quantitative structure-activity relationship studies for a series of isatin derivatives as a nonpeptidyl caspase-3 enzyme inhibitor were investigated using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). The first approac...

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Published inBulletin of the Korean Chemical Society Vol. 27; no. 2; pp. 273 - 276
Main Authors Lee, Do-Young, Hyun, Kwan-Hoon, Park, Hyung-Yeon, Lee, Kyung- A, Lee, Bon-Su, Kim, Chan-Kyung
Format Journal Article
LanguageKorean
Published 2006
Subjects
3D-QSAR
Caspase-3 inhibitors
CoMFA
CoMSIA
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Summary:Three dimensional quantitative structure-activity relationship studies for a series of isatin derivatives as a nonpeptidyl caspase-3 enzyme inhibitor were investigated using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). The first approach of non-peptidyl small molecules by 3D QSAR may be useful in guiding further development of potent caspase-3 inhibitors.
Bibliography:KISTI1.1003/JNL.JAKO200602727220339
ISSN:0253-2964
1229-5949