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Synthesis, in Vitro, and in Vivo Biological Evaluation and Molecular Docking Analysis of Novel 3‐(3‐oxo‐substitutedphenyl‐3‐)4‐(2‐(piperidinyl)ethoxy)phenyl)propyl)‐2H‐chromen‐2‐one Derivatives as Anti‐breast Cancer Agents
Author(s) -
Dube Pritam N.,
Waghmare Madhuri N.,
Mokale Santosh N.
Publication year - 2016
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.12696
Subject(s) - docking (animal) , in vivo , chemistry , coumarin , in vitro , alkoxy group , mcf 7 , cytotoxicity , estrogen receptor , stereochemistry , selectivity , cell culture , combinatorial chemistry , pharmacology , human breast , cancer cell , biochemistry , breast cancer , cancer , organic chemistry , biology , medicine , alkyl , nursing , microbiology and biotechnology , genetics , catalysis
The analogs of coumarin–chalcones have been reported to exhibit antineoplastic, anti‐allergic, antihepatoprotective, and estrogenic activity. Herein, we have reported 3‐(3‐oxo‐substitutedphenyl‐3‐)4‐(2‐(piperidinyl)ethoxy)phenyl)propyl)‐2H‐chromen‐2‐one derivatives as a new class of compounds that exhibit selectivity for ER ‐ α binding along with antiproliferative and cytotoxic activity on human breast cancer cell line. The active compounds which show prominent activity against estrogen receptor‐alpha‐positive ( ER +) human breast cancer cell lines MCF ‐7 and Zr‐75‐1 are subjected to in vivo screening. The Glide XP docking was performed for designed scaffold to optimize its structural requirement for ER ‐ α inhibition.