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 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; in revised form: 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

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MDPI and ACS Style

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.

AMA Style

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. International Journal of Molecular Sciences. 2007; 8(8):830-841.

Chicago/Turabian Style

Wu, Chien-Ming; Wu, Shu-Chun; Chung, Wan-Jung; Lin, Hsien-Cheng; Chen, Kun-Tze; Chen, Yu-Chian; Hsu, Mei-Feng; Yang, Jwu-Maw; Wang, Jih-Pyang; Lin, Chun-Nan. 2007. "Antiplatelet Effect and Selective Binding to Cyclooxygenase (COX) by Molecular Docking Analysis of Flavonoids and Lignans." Int. J. Mol. Sci. 8, no. 8: 830-841.

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