Structure-Based drug design: synthesis, crystal structure, biological evaluation and docking studies of mono-and bis-benzo [b] oxepines as non-steroidal estrogens

…, PR Maulik, MM Singh, P Venugopalan, S Ray

Index: Sarkhel, Sanjay; Sharon, Ashoke; Trivedi, Vishal; Maulik, Prakas R.; Singh, Man Mohan; Venugopalan, Paloth; Ray, Suprabhat Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 23 p. 5025 - 5033

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Citation Number: 16

Abstract

Mono-and bis-benzo [b] oxepine derivatives have been rationally synthesized to meet the molecular requirement for interaction with estrogen receptor. Bis-benzo [b] oxepines (7 and 9) and mono-benzo [b] oxepine (10) acquire geometry with phenolic groups disposed in a fashion to stimulate estrogen receptor. Structure-based investigation, in vivo activity and docking studies have been described and correlated to demonstrate a practical approach ...

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