3D QSAR analysis of taxoids from Taxus cuspidata var. nana by comparative molecular field approach

Bioorganic & Medicinal Chemistry Letters
1997.0

Abstract

A series of taxoids, isolated from the stems of Taxus cuspidata var. nana, showing a cell growth inhibitory activity, were investigated for their 3D QSAR by using the comparative molecular field (CoMFA) analysis. The results indicated a strong correlation between the P388 cell growth inhibitory activity of these taxoids and the steric and electrostatic factors which modulate their biological activity, and accounted for the potent activities of the taxoids with the N-acylphenylisoserine derivatives at C-13 and the weak activities of those without this kind of ester group. It was also suggested that the substituent at C-2 is not a requisite for the biological activity: smaller substituent seemed to favor the biological activity. © 1997 Published by Elsevier Science Ltd.

Knowledge Graph

Similar Paper

3D QSAR analysis of taxoids from Taxus cuspidata var. nana by comparative molecular field approach
Bioorganic & Medicinal Chemistry Letters 1997.0
A comparative molecular field analysis derived model of the binding of taxol® analogues to microtubules
Bioorganic & Medicinal Chemistry Letters 1994.0
A QSAR study for the cytotoxic activities of taxoids against macrophage (MΦ)-like cells
European Journal of Medicinal Chemistry 2009.0
3D QSAR studies on new oxazolidinone antibacterial agents by comparative molecular field analysis
Bioorganic & Medicinal Chemistry Letters 1999.0
Three-Dimensional Quantitative Structure−Activity Relationships of Cyclo-oxygenase-2 (COX-2) Inhibitors: A Comparative Molecular Field Analysis
Journal of Medicinal Chemistry 2001.0
QSAR modeling of taxane analogues against colon cancer
European Journal of Medicinal Chemistry 2010.0
Three-Dimensional Quantitative Structure-Activity Relationships of Sulfonamide Endothelin Inhibitors
Journal of Medicinal Chemistry 1995.0
3D-QSAR Studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)
Bioorganic & Medicinal Chemistry Letters 2003.0
3D-QSAR Studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)
Bioorganic & Medicinal Chemistry Letters 2003.0
Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis of Thalidomide Analogues as Angiogenesis Inhibitors
Journal of Medicinal Chemistry 2004.0