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In Silico Investigation of Cytochrome P450 2C9 in relation to Aging Using Traditional Chinese Medicine
Joint Authors
Chen, Calvin Yu-Chian
Kuo, Chia-Chen
Hung, Tzu-Chieh
Source
Evidence-Based Complementary and Alternative Medicine
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-14, 14 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-05-08
Country of Publication
Egypt
No. of Pages
14
Main Subjects
Abstract EN
Cytochrome P450 2C9 (CYP2C9) metabolizes dehydroepiandrosterone-sulfate (DHEA-S), but in elderly people the amount of DHEA-S remaining after CYP2C9 metabolization may be insufficient for optimal health.
A prediction model, molecular docking, and molecular dynamics were used to screen the Traditional Chinese Medicine (TCM) database to determine molecular compounds that may inhibit CYP2C9.
The candidate compounds apocynoside(I), 4-methoxymagndialdehyde, and prunasin have higher Dock Scores, and prediction bioactivity than warfarin (the control drug).
The interaction between 4-methoxymagndialdehyde and CYP2C9 is more intense than with other TCM compounds, but the simulation is longer.
In these compounds, apocynoside(I) and prunasin have a greater number of pathways for their flexible structure, but these structures create weak interactions.
These candidate compounds, which are known to have antioxidation and hypolipidemic functions that have an indirect effect on the aging process, can be extracted from traditional Chinese medicines.
Thus, these candidate compounds may become CYP2C9 inhibitors and play an important role in providing optimal health in the elderly.
American Psychological Association (APA)
Hung, Tzu-Chieh& Kuo, Chia-Chen& Chen, Calvin Yu-Chian. 2014. In Silico Investigation of Cytochrome P450 2C9 in relation to Aging Using Traditional Chinese Medicine. Evidence-Based Complementary and Alternative Medicine،Vol. 2014, no. 2014, pp.1-14.
https://search.emarefa.net/detail/BIM-1035185
Modern Language Association (MLA)
Hung, Tzu-Chieh…[et al.]. In Silico Investigation of Cytochrome P450 2C9 in relation to Aging Using Traditional Chinese Medicine. Evidence-Based Complementary and Alternative Medicine No. 2014 (2014), pp.1-14.
https://search.emarefa.net/detail/BIM-1035185
American Medical Association (AMA)
Hung, Tzu-Chieh& Kuo, Chia-Chen& Chen, Calvin Yu-Chian. In Silico Investigation of Cytochrome P450 2C9 in relation to Aging Using Traditional Chinese Medicine. Evidence-Based Complementary and Alternative Medicine. 2014. Vol. 2014, no. 2014, pp.1-14.
https://search.emarefa.net/detail/BIM-1035185
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1035185