Study on the binding of chlorogenic acid to pepsin by spectral and molecular docking

Hua‐jin Zeng; Hui‐li Liang; Jing You; Ling‐Bo Qu

doi:10.1002/bio.2610

journal article Dec 12, 2013

Study on the binding of chlorogenic acid to pepsin by spectral and molecular docking

Hua‐jin Zeng Hui‐li Liang Jing You

Ling‐Bo Qu

Luminescence Vol. 29 No. 7 pp. 715-721 · Wiley

View at Publisher Save 10.1002/bio.2610

Abstract

ABSTRACTThe interaction of pepsin with chlorogenic acid (CHA) was investigated using fluorescence, UV/vis spectroscopy and molecular modeling methods. Stern–Volmer analysis indicated that the fluorescence quenching of pepsin by CHA resulted from a static mechanism, and the binding constant was 1.1846 × 105 and 1.1587 × 105 L/mol at 288 and 310 K, respectively. The distance between donor (pepsin) and acceptor (CHA) was calculated to be 2.39 nm and the number of binding sites for CHA binding on pepsin was ~ 1. The results of synchronous fluorescence and three‐dimensional fluorescence showed that binding of CHA to pepsin could induce conformational changes in pepsin. Molecular docking experiments found that CHA bonded with pepsin in the area of the hydrophobic cavity with Van der Waals' forces or hydrogen bonding interaction, which were consistent with the results obtained from the thermodynamic parameter analysis. Furthermore, the binding of CHA can inhibit pepsin activity in vitro. Copyright © 2013 John Wiley & Sons, Ltd.

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References

Details

Published: Dec 12, 2013
Vol/Issue: 29(7)
Pages: 715-721
License: View

Authors

H

Hua‐jin Zeng

School of Pharmaceutical Sciences Zhengzhou University Zhengzhou 450001 People's Republic of China

H

Hui‐li Liang

School of Pharmaceutical Sciences Zhengzhou University Zhengzhou 450001 People's Republic of China

J

Jing You

School of Pharmaceutical Sciences Zhengzhou University Zhengzhou 450001 People's Republic of China

L

Ling‐Bo Qu

School of Chemistry and Chemical Engineering Henan University of Technology Zhengzhou 450001 People's Republic of China

Cite This Article

Hua‐jin Zeng, Hui‐li Liang, Jing You, et al. (2013). Study on the binding of chlorogenic acid to pepsin by spectral and molecular docking. Luminescence, 29(7), 715-721. https://doi.org/10.1002/bio.2610

Study on the binding of chlorogenic acid to pepsin by spectral and molecular docking

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