QSAR Analysis of Indazole Estrogens as Selective β-Estrogen Receptor Ligands: Rationalization of Physicochemical Properties

Title: QSAR Analysis of Indazole Estrogens as Selective β-Estrogen Receptor Ligands: Rationalization of Physicochemical Properties

Volume: 3 Issue: 4

Author(s): A.K. Gupta, A. Jain, K. Agrawal, V. Saraswat, S. Revathi, L.K. Soni and S.G. Kaskhedikar

Affiliation:

Keywords: QSAR, Indazole estrogens, β-Estrogen receptor ligands

Abstract: Quantification of structure activity relationships was performed on a series of indazole estrogen analogs, for their relative β estrogenic receptor agonist activity, in order to understand the essential structural requirements for selectivity of indazole estrogen analogs for β-estrogenic receptor over α-estrogenic receptor. The de novo and Hansch approach suggested that the 3rd position of indazole nucleus (R1) is decisive for the selectivity of molecules towards β- estrogenic receptor over β-estrogenic receptor. The study also depicted that the substitution of polar group at R1 position might prove helpful in the β-estrogenic receptor selectivity (ERβ/α).

Cite this article as:

A.K. Gupta , A. Jain , K. Agrawal , V. Saraswat , S. Revathi , L.K. Soni and S.G. Kaskhedikar , QSAR Analysis of Indazole Estrogens as Selective β-Estrogen Receptor Ligands: Rationalization of Physicochemical Properties, Medicinal Chemistry 2007; 3 (4) . https://dx.doi.org/10.2174/157340607781024384