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Int. J. Mol. Sci. 2014, 15(5), 8808-8820; doi:10.3390/ijms15058808

Synthesis, Preliminary Bioevaluation and Computational Analysis of Caffeic Acid Analogues

1 Department of Phytochemistry, School of Pharmacy, School of Pharmacy, Second Military Medical University, 325 Guo He Road, Shanghai 200433, China 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
* Author to whom correspondence should be addressed.
Received: 1 March 2014 / Revised: 31 March 2014 / Accepted: 17 April 2014 / Published: 16 May 2014
(This article belongs to the Special Issue Molecular Science for Drug Development and Biomedicine)
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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.
Keywords: anti-inflammatory; caffeic acid amides; synthesis; pharmacophore; target predication anti-inflammatory; caffeic acid amides; synthesis; pharmacophore; target predication
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Liu, Z.; Fu, J.; Shan, L.; Sun, Q.; Zhang, W. Synthesis, Preliminary Bioevaluation and Computational Analysis of Caffeic Acid Analogues. Int. J. Mol. Sci. 2014, 15, 8808-8820.

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