title: QSAR analysis of indazole estrogens as selective beta-estrogen receptor ligands: rationalization of physicochemical properties.
abstract: Quantification of structure activity relationships was performed on a series of indazole estrogen analogs, for their relative beta estrogenic receptor agonist activity, in order to understand the essential structural requirements for selectivity of indazole estrogen analogs for beta-estrogenic receptor over alpha-estrogenic receptor. The de novo and Hansch approach suggested that the 3(rd) position of indazole nucleus (R(1)) is decisive for the selectivity of molecules towards beta-estrogenic receptor over alpha-estrogenic receptor. The study also depicted that the substitution of polar group at R(1) position might prove helpful in the beta-estrogenic receptor selectivity (ER(beta/alpha )).
authors.affiliation: Department of Pharmaceutical Chemistry, B.R.Nahata College of Pharmacy, Mandsaur, India.
authors.forename: A K
authors.initials: AK
authors.lastname: Gupta
authors.forename: A
authors.initials: A
authors.lastname: Jain
authors.forename: A
authors.initials: A
authors.lastname: Jain
authors.forename: K
authors.initials: K
authors.lastname: Agrawal
authors.forename: V
authors.initials: V
authors.lastname: Saraswat
authors.forename: S
authors.initials: S
authors.lastname: Revathi
authors.forename: L K
authors.initials: LK
authors.lastname: Soni
authors.forename: S G
authors.initials: SG
authors.lastname: Kaskhedikar
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D047629:Estrogen Receptor beta / Q000819:agonists / Q000378:metabolism*; D004967:Estrogens / Q000737:chemistry* / Q000378:metabolism*; D007191:Indazoles / Q000737:chemistry*; D008024:Ligands; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D012680:Sensitivity and Specificity
chemical_list: D047629:Estrogen Receptor beta; D004967:Estrogens; D007191:Indazoles; D008024:Ligands