Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators
详细信息 查看全文
- 作者：Vaibhav A. Dixita ; Prakash Chandra Rathib ; Shweta Bhagata ; Holger Gohlkeb ; Rasmus K. Petersenc ; Karsten Kristiansenc ; Asit K. Chakrabortia ; Prasad V. Bharatama ; pvbharatam@niper.ac.in" class="auth_mail" title="E-mail the corresponding author
- 关键词：Y-shaped ligands ; PPARγ activation ; Anti-diabetic agents ; Barbituric acid derivatives ; Competitive binding
- 刊名：European Journal of Medicinal Chemistry
- 出版年：2016
- 出版时间：27 January 2016
- 年：2016
- 卷：108
- 期：Complete
- 页码：423-435
- 全文大小：1503 K
文摘
- •
Novel Y-shaped barbituric acid based PPARγ activators are designed and synthesized.
- •
Docking analysis highlights the role of ARG288 in binding affinity.
- •
MD simulations show that BA derivatives have H-bonding patterns similar to partial agonists.
- •
Symmetrically substituted derivatives (15 and 26) showed highest binding affinities amongst all synthesized compounds.
- •
Y-shaped barbituric acid analogues may show desired balance in PPAR activation.