CoMFA and CoMSIA 3D QSAR Studies on Pimarane Cyclooxygenase-2 (COX-2) Inhibitors

  • Published : 2003.04.01

Abstract

In this work, we have conducted 3D-QSAR studies on a series of acanthonic acid derivatives that act as COX-2 inhibitors, using two different methods: comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). CoMFA and CoMSIA analysis of twenty five pimarane analogues produced good models with high predictive abilities. (omitted)

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