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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,*
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 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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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.


Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert