Quantitative structure activity relationship study of pyrazole ligands binding to es- trogen receptor-α-selective agonists
نویسندگان
چکیده
A quantitative structure activity relationship (QSAR) study on tetrasubstituted pyrazoles as high affinity ligands for the estrogen receptor (both ERα and ERβ subtypes) have been performed using various combinations of hydrophobic (MlogP), steric (MR) and electronic (Xeq) descriptors. The regression analysis of the data has shown better results in multiparametric regressions upon introduction of dummy parameters (indicator variables). The results suggest that the binding affinity for ERα and ERβ subtypes in tetrasubstituted pyrazoles is largely enhanced by the negative coefficient of MlogP and positive coefficient of MR descriptors.
منابع مشابه
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