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Int. J. Mol. Sci. 2007, 8(8), 830-841; doi:10.3390/i8080830
Article

Antiplatelet Effect and Selective Binding to Cyclooxygenase (COX) by Molecular Docking Analysis of Flavonoids and Lignans

1, 2, 3, 4, 5, 5, 6, 3, 7 and 2,*
1 Department of Physical Medicine and Rehabilitation, Yuan's General Hospital, Kaohsiung 802, Taiwan 2 School of Pharmacy, Kaohsiung Medical University, Kaohsiung 807, Taiwan 3 Department of Biotechnology, Chia-Nan University of Pharmacy and Science, Tainan Hsien 717, Taiwan 4 School of Technology for Medical Science, Kaohsiung Medical University, Kaohsiung 807, Taiwan 5 Department of Biological Science and Technology, China Medical University, Taichung 404, Taiwan 6 Department of Biochemistry, China Medical University, Taichung 404, Taiwan 7 Department of Education and Research, Taichung Veterans General Hospital, Taiwan 407, Taiwan
* Author to whom correspondence should be addressed.
Received: 30 July 2007 / Revised: 15 August 2006 / Accepted: 15 August 2007 / Published: 22 August 2007
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Abstract

The known flavonoids ginkgetin (1), taiwanhomoflavone A (2),taiwanhomoflavone B (3), and taiwanhomoflavone C (4) and eight known lignans:justicidin B (9), justicidin C (10), justicidin D (11), chinensinaphthol methyl ether (12),procumphthalide A (13), procumbenoside A (15), and ciliatosides A (16) and B (17) wereisolated from Cephalotaxus wilsoniana and Justicia species, respectively. The antiplateleteffects of the above constituents on human platelet-rich plasma (PRP) were evaluated. Ofthe compounds tested on human PRP, compounds 1, 4, 9, and 11 showed inhibition ofsecondary aggregation induced by adrenaline. Compound 1 had an inhibitory effect oncyclooxygenase-1 (COX-1). Molecular docking studies revealed that 1 and the related compounds apigenin (5), cycloheterophyllin (6), broussoflavone F (7), and quercetin (8) were docked near the gate of active site of COX-1. It indicated that the antiplatelet effect of 1, 4, 9, and 11 is partially owed to suppression of COX-1 activity and reduced thromboxane formation. Flavonoids, 1, 5, 6, 7, and 8 may block the gate of the active site of COX-1 and interfere the conversion of arachidonic acid to prostaglandin (PG) H2 in the COX-1 active site.
Keywords: Flavonoids; lignans; antiplatelet; COX-1; molecular docking Flavonoids; lignans; antiplatelet; COX-1; molecular docking
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Wu, C.-M.; Wu, S.-C.; Chung, W.-J.; Lin, H.-C.; Chen, K.-T.; Chen, Y.-C.; Hsu, M.-F.; Yang, J.-M.; Wang, J.-P.; Lin, C.-N. Antiplatelet Effect and Selective Binding to Cyclooxygenase (COX) by Molecular Docking Analysis of Flavonoids and Lignans. Int. J. Mol. Sci. 2007, 8, 830-841.

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