1. QSAR AND DOCKING STUDIES OF CHLORPROPAMIDE DERIVATES.
- Author
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Harsa, Teodora E., Harsa, Alexandra M., and Diudea, Mircea V.
- Subjects
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CHLORPROPAMIDE , *CHEMICAL derivatives , *QSAR models , *MOLECULAR docking , *CYTOCHROME P-450 - Abstract
A study of 40 chlorpropamide derivatives, QSAR (Quantitative Structure Activity Relationship) and molecular docking approaches were applied to explore the structural requisites of chlorpropamide derivatives for CYTOCHROME P450 2C9 inhibitory activity. A set of forty chlorpropamide, was modeled, within the hypermolecule strategy; the predicted activity was LD50 and prediction was done on similarity clusters with the leaders chosen as the best docked ligands on the CYTOCHROME P450 2C9. [ABSTRACT FROM AUTHOR]
- Published
- 2015