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Quantitative structure activity relationship studies of diaryl thiophen derivatives as selective COX-2 inhibitors


, : Quantitative structure activity relationship studies of diaryl thiophen derivatives as selective COX-2 inhibitors. Die Pharmazie 60(4): 254-258

QSAR studies were carried out on a series of diaryl thiophens that act as selective COX-2 inhibitors using Molecular Operating Environment (MOE). The studies were carried out on a training set of 20 analogs. These studies produced good predictive models and indicated that partial Charge Descriptors (Q_VSA FPNEG), shape descriptor (STD_DIM 3); hydrophobic descriptor (LOG P) and electronic descriptor (TPSA-Topological positive surface area) contribute to selective cyclooxygenase-2 inhibitory activity. Pharmacophoric query generation showedthe pharmacophores required for selective COX-2 inhibitory activity.

US$29.90

PMID: 15881602


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