Virtual Screening of Activity Evaluation of Dipeptidyl Peptidase-IV Inhibitory Peptides in White Beer

doi:10.7506/spkx1002-6630-20210607-089

FOOD SCIENCE ›› 2022, Vol. 43 ›› Issue (10): 81-87.doi: 10.7506/spkx1002-6630-20210607-089

• Bioengineering • Previous Articles Next Articles

Virtual Screening of Activity Evaluation of Dipeptidyl Peptidase-IV Inhibitory Peptides in White Beer

TIAN Wenhui, SUN Liping, ZHANG Cui, HU Shumin, ZHUANG Yongliang, YIN Hua

(1. State Key Laboratory of Biological Fermentation Engineering of Beer, Qingdao 266021, China; 2. College of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China)

Online:2022-05-25 Published:2022-05-27

Abstract

Abstract: This study aimed to establish a method for rapid screening of dipeptidyl peptidase-IV (DPP-IV) inhibitory peptides from white beer. The amino acid sequences of polypeptides were identified by ultrahigh performance liquid chromatography-quadrupole electrostatic field orbitrap high-resolution mass spectrometry (UPLC-Q-Orbitrap-MS2) with the De novo software. In total 68 polypeptides were determined with high confidence, and their biological activity was evaluated using Peptide Ranker. Of these, four were selected for their scores greater than 0.5 to predict their potential DPP-IV inhibitory activity. Meanwhile, another 13 peptides with DPP-IV inhibitory activity were selected according to previous reports. The absorption, metabolism and toxicity of these 17 peptides were predicted and they were evaluated by molecular docking. Finally, two potential DPP-IV inhibitory peptides, VPFPHTP and LAKLQR, were selected. The molecular docking results showed that both peptides could bind DPP-IV tightly by hydrogen bonding and hydrophobic interaction. The peptides were found to have obvious in vitro DPP-IV inhibitory activity.

Key words: beer; polypeptide; dipeptidyl peptidase-IV; virtual screening; molecular docking

CLC Number:

TS262.5

TIAN Wenhui, SUN Liping, ZHANG Cui, HU Shumin, ZHUANG Yongliang, YIN Hua. Virtual Screening of Activity Evaluation of Dipeptidyl Peptidase-IV Inhibitory Peptides in White Beer[J]. FOOD SCIENCE, 2022, 43(10): 81-87.

[1]	Wen-Hui TIAN Yong-liang ZHUANG. Virtual screening of active peptides in white beer and analysis of Dipeptidyl Peptidase-IV inhibition activity [J]. FOOD SCIENCE, 0, (): 0-0.
[2]	YANG Lixia, WU Dianhui, LU Zhendong, LU Jian. Isolation and Identification of Antioxidant Compounds in Beer with Yuan’an Yellow Tea [J]. FOOD SCIENCE, 2022, 43(8): 262-270.
[3]	Li-Xia YANG Dian-Hui WU. Isolation and identification of antioxidative compounds in beer with Yuan'an yellow tea [J]. , 0, (): 0-0.
[4]	LIU Cheng, DU Jinhua, BAO Jiao. Changes and Control of Dimethyl Sulfide, S-Methylmethionine and Dimethyl Sulfoxide Contents during Beer Making [J]. FOOD SCIENCE, 2019, 40(24): 332-337.
[5]	Cheng LIU Du JinHua. Changes and Control of Dimethyl sulfide, S-methyl methionine and Dimethyl Sulfoxide Contents during Beer Brewing [J]. FOOD SCIENCE, 0, (): 0-0.
[6]	HONG Kai, MA Changwei. Monoterpene Compounds in Hops and Beer: A Review [J]. FOOD SCIENCE, 2019, 40(7): 328-334.
[7]	Hua-Lei CHEN. Establishment of Evaluation Method for KIRE of Beer Based on Gas Chromatography-Mass Spectrometry and Partial Least Squares-Discriminant Analysi [J]. FOOD SCIENCE, 0, (): 0-0.
[8]	WU Longkun, JIANG Lianzhou, WANG Lijuan, XIAO Zhigang. Effects of Ultrasonic Pretreatment with Different Working Modes on Enzymatic Hydrolysis and Structural Characteristics of Lotus Seed Protein [J]. FOOD SCIENCE, 2018, 39(23): 100-105.
[9]	. Effects of ultrasonic pretreatment with different working modes on the enzymolysis and the structure characterization of lotus seed protein [J]. FOOD SCIENCE, 0, (): 0-0.
[10]	. Optimization of extraction condition of Guangchang Lotus seed protein by response surface methodology and antioxidant activities of its enzymatic hydrolysates [J]. FOOD SCIENCE, 0, (): 0-0.
[11]	RAO Shengqi, ZANG Xiangyu, PU Yuwen, YANG Zhenquan, FANG Weiming. Optimization of Extraction Conditions of Guangchang White Lotus Seed Protein by Response Surface Methodology and Antioxidant Activities of Its Enzymatic Hydrolysates [J]. FOOD SCIENCE, 2015, 36(24): 63-69.
[12]	. Study on synergistic antioxidant activities of egg white protein enzymatic peptides and soybean protein enzymatic peptides [J]. FOOD SCIENCE, 0, (): 0-0.
[13]	Yao WANG Liu Yumei. Studies on the Contents of Inorganic Elements in Different Parts of the Hops by Using ICP-MS [J]. FOOD SCIENCE, 0, (): 0-0.
[14]	WANG Qian-wen, XU Kun, YUAN Yu-qing. Determination of Fructose and Glucose in Beers by Liquid Chromatography-Mass Spectrometry [J]. FOOD SCIENCE, 2014, 35(12): 183-185.
[15]	Qian-wen WANG. Determination of Fructose and Glucose in Beers by Liquid Chromatography-Mass Spectrometry [J]. FOOD SCIENCE, 0, (): 0-0.

Virtual Screening of Activity Evaluation of Dipeptidyl Peptidase-IV Inhibitory Peptides in White Beer

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