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Medicinal Chemistry


ISSN (Print): 1573-4064
ISSN (Online): 1875-6638

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

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

Volume 3, Issue 4, 2007

Page: [347 - 353] Pages: 7

DOI: 10.2174/157340607781024384

Price: $65


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).

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

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