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Int J Mol Sci. 2014 May 16;15(5):8808-20. doi: 10.3390/ijms15058808.

Synthesis, preliminary bioevaluation and computational analysis of caffeic acid analogues.

Author information

1
Department of Phytochemistry, School of Pharmacy, School of Pharmacy, Second Military Medical University, 325 Guo He Road, Shanghai 200433, China. qian12@yeah.net.
2
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Mei Long Road, Shanghai 200237, China. ivanliu2012@hotmail.com.
3
Department of Phytochemistry, School of Pharmacy, School of Pharmacy, Second Military Medical University, 325 Guo He Road, Shanghai 200433, China. shanleicn@126.com.
4
Department of Phytochemistry, School of Pharmacy, School of Pharmacy, Second Military Medical University, 325 Guo He Road, Shanghai 200433, China. sqy_2000@163.com.
5
Department of Phytochemistry, School of Pharmacy, School of Pharmacy, Second Military Medical University, 325 Guo He Road, Shanghai 200433, China. wdzhangy@hotmail.com.

Abstract

A series of caffeic acid amides were designed, synthesized and evaluated for anti-inflammatory activity. Most of them exhibited promising anti-inflammatory activity against nitric oxide (NO) generation in murine macrophage RAW264.7 cells. A 3D pharmacophore model was created based on the biological results for further structural optimization. Moreover, predication of the potential targets was also carried out by the PharmMapper server. These amide analogues represent a promising class of anti-inflammatory scaffold for further exploration and target identification.

PMID:
24857914
PMCID:
PMC4057760
DOI:
10.3390/ijms15058808
[Indexed for MEDLINE]
Free PMC Article

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