Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein

The traditional nutritional and medical hemp (Cannabis sativa L.) seed protein were explored for the discovery and directional preparation of new xanthine oxidase inhibitory (XOI) peptides by structure-based virtual screening, compound synthesis, in vitro bioassay and proteolysis. Six subtypes of he...

Full description

Saved in:
Bibliographic Details
Main Authors: Xiaoni Huang, Jiajun Liao, Ping Shi, Xiaodong Pei, Chenghua Wang
Format: Article
Language:English
Published: Tsinghua University Press 2024-11-01
Series:Food Science and Human Wellness
Subjects:
Online Access:https://www.sciopen.com/article/10.26599/FSHW.2023.9250047
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1841550149877235712
author Xiaoni Huang
Jiajun Liao
Ping Shi
Xiaodong Pei
Chenghua Wang
author_facet Xiaoni Huang
Jiajun Liao
Ping Shi
Xiaodong Pei
Chenghua Wang
author_sort Xiaoni Huang
collection DOAJ
description The traditional nutritional and medical hemp (Cannabis sativa L.) seed protein were explored for the discovery and directional preparation of new xanthine oxidase inhibitory (XOI) peptides by structure-based virtual screening, compound synthesis, in vitro bioassay and proteolysis. Six subtypes of hemp seed edestin and albumin were in silico hydrolyzed by 29 proteases, and 192 encrypted bioactive peptides were screened out. Six peptides showed to be XOI peptides, of which four (about 67%) were released by elastase hydrolysis. The peptide DDNPRRFY displayed the highest XOI activity (IC50 = (2.10 ± 0.06) mg/mL), acting as a mixed inhibitor. The pancreatic elastase directionally prepared XOI hemp seed protein hydrolysates, from which 6 high-abundance XOI peptides encrypted 3 virtually-screened ones including the DDNPRRFY. The novel outstanding hemp seed protein-derived XOI peptides and their virtual screening and directed preparation methods provide a promising and applicable approach to conveniently and efficiently explore food-derived bioactive peptides.
format Article
id doaj-art-ef9b6f4ebcfa4f9ea33a94bdfa7242b1
institution Kabale University
issn 2097-0765
2213-4530
language English
publishDate 2024-11-01
publisher Tsinghua University Press
record_format Article
series Food Science and Human Wellness
spelling doaj-art-ef9b6f4ebcfa4f9ea33a94bdfa7242b12025-01-10T06:57:02ZengTsinghua University PressFood Science and Human Wellness2097-07652213-45302024-11-011363652366010.26599/FSHW.2023.9250047Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed proteinXiaoni Huang0Jiajun Liao1Ping Shi2Xiaodong Pei3Chenghua Wang4College of Light Industry and Food Engineering, Guangxi University, Nanning 530004, ChinaCollege of Light Industry and Food Engineering, Guangxi University, Nanning 530004, ChinaCollege of Light Industry and Food Engineering, Guangxi University, Nanning 530004, ChinaCollege of Light Industry and Food Engineering, Guangxi University, Nanning 530004, ChinaCollege of Light Industry and Food Engineering, Guangxi University, Nanning 530004, ChinaThe traditional nutritional and medical hemp (Cannabis sativa L.) seed protein were explored for the discovery and directional preparation of new xanthine oxidase inhibitory (XOI) peptides by structure-based virtual screening, compound synthesis, in vitro bioassay and proteolysis. Six subtypes of hemp seed edestin and albumin were in silico hydrolyzed by 29 proteases, and 192 encrypted bioactive peptides were screened out. Six peptides showed to be XOI peptides, of which four (about 67%) were released by elastase hydrolysis. The peptide DDNPRRFY displayed the highest XOI activity (IC50 = (2.10 ± 0.06) mg/mL), acting as a mixed inhibitor. The pancreatic elastase directionally prepared XOI hemp seed protein hydrolysates, from which 6 high-abundance XOI peptides encrypted 3 virtually-screened ones including the DDNPRRFY. The novel outstanding hemp seed protein-derived XOI peptides and their virtual screening and directed preparation methods provide a promising and applicable approach to conveniently and efficiently explore food-derived bioactive peptides.https://www.sciopen.com/article/10.26599/FSHW.2023.9250047hemp seed proteinanti-goutbioactive peptidevirtual screeningproteolysis
spellingShingle Xiaoni Huang
Jiajun Liao
Ping Shi
Xiaodong Pei
Chenghua Wang
Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
Food Science and Human Wellness
hemp seed protein
anti-gout
bioactive peptide
virtual screening
proteolysis
title Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
title_full Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
title_fullStr Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
title_full_unstemmed Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
title_short Virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
title_sort virtual screening and directional preparation of xanthine oxidase inhibitory peptides derived from hemp seed protein
topic hemp seed protein
anti-gout
bioactive peptide
virtual screening
proteolysis
url https://www.sciopen.com/article/10.26599/FSHW.2023.9250047
work_keys_str_mv AT xiaonihuang virtualscreeninganddirectionalpreparationofxanthineoxidaseinhibitorypeptidesderivedfromhempseedprotein
AT jiajunliao virtualscreeninganddirectionalpreparationofxanthineoxidaseinhibitorypeptidesderivedfromhempseedprotein
AT pingshi virtualscreeninganddirectionalpreparationofxanthineoxidaseinhibitorypeptidesderivedfromhempseedprotein
AT xiaodongpei virtualscreeninganddirectionalpreparationofxanthineoxidaseinhibitorypeptidesderivedfromhempseedprotein
AT chenghuawang virtualscreeninganddirectionalpreparationofxanthineoxidaseinhibitorypeptidesderivedfromhempseedprotein