Cargando…
In Silico Discovery of Anticancer Peptides from Sanghuang
Anticancer peptide (ACP) is a short peptide with less than 50 amino acids that has been discovered in a variety of foods. It has been demonstrated that traditional Chinese medicine or food can help treat cancer in some cases, which suggests that ACP may be one of the therapeutic ingredients. Studies...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9693127/ https://www.ncbi.nlm.nih.gov/pubmed/36430160 http://dx.doi.org/10.3390/ijms232213682 |
_version_ | 1784837457323229184 |
---|---|
author | Liu, Minghao Lv, Jiachen Chen, Liyuan Li, Wannan Han, Weiwei |
author_facet | Liu, Minghao Lv, Jiachen Chen, Liyuan Li, Wannan Han, Weiwei |
author_sort | Liu, Minghao |
collection | PubMed |
description | Anticancer peptide (ACP) is a short peptide with less than 50 amino acids that has been discovered in a variety of foods. It has been demonstrated that traditional Chinese medicine or food can help treat cancer in some cases, which suggests that ACP may be one of the therapeutic ingredients. Studies on the anti-cancer properties of Sanghuangporus sanghuang have concentrated on polysaccharides, flavonoids, triterpenoids, etc. The function of peptides has not received much attention. The purpose of this study is to use computer mining techniques to search for potential anticancer peptides from 62 proteins of Sanghuang. We used mACPpred to perform sequence scans after theoretical trypsin hydrolysis and discovered nine fragments with an anticancer probability of over 0.60. The study used AlphaFold 2 to perform structural modeling of the first three ACPs discovered, which had blast results from the Cancer PPD database. Using reverse docking technology, we found the target proteins and interacting residues of two ACPs with an unknown mechanism. Reverse docking results predicted the binding modes of the ACPs and their target protein. In addition, we determined the active part of ACPs by quantum chemical calculation. Our study provides a framework for the future discovery of functional peptides from foods. The ACPs discovered have the potential to be used as drugs in oncology clinical treatment after further research. |
format | Online Article Text |
id | pubmed-9693127 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-96931272022-11-26 In Silico Discovery of Anticancer Peptides from Sanghuang Liu, Minghao Lv, Jiachen Chen, Liyuan Li, Wannan Han, Weiwei Int J Mol Sci Article Anticancer peptide (ACP) is a short peptide with less than 50 amino acids that has been discovered in a variety of foods. It has been demonstrated that traditional Chinese medicine or food can help treat cancer in some cases, which suggests that ACP may be one of the therapeutic ingredients. Studies on the anti-cancer properties of Sanghuangporus sanghuang have concentrated on polysaccharides, flavonoids, triterpenoids, etc. The function of peptides has not received much attention. The purpose of this study is to use computer mining techniques to search for potential anticancer peptides from 62 proteins of Sanghuang. We used mACPpred to perform sequence scans after theoretical trypsin hydrolysis and discovered nine fragments with an anticancer probability of over 0.60. The study used AlphaFold 2 to perform structural modeling of the first three ACPs discovered, which had blast results from the Cancer PPD database. Using reverse docking technology, we found the target proteins and interacting residues of two ACPs with an unknown mechanism. Reverse docking results predicted the binding modes of the ACPs and their target protein. In addition, we determined the active part of ACPs by quantum chemical calculation. Our study provides a framework for the future discovery of functional peptides from foods. The ACPs discovered have the potential to be used as drugs in oncology clinical treatment after further research. MDPI 2022-11-08 /pmc/articles/PMC9693127/ /pubmed/36430160 http://dx.doi.org/10.3390/ijms232213682 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Liu, Minghao Lv, Jiachen Chen, Liyuan Li, Wannan Han, Weiwei In Silico Discovery of Anticancer Peptides from Sanghuang |
title | In Silico Discovery of Anticancer Peptides from Sanghuang |
title_full | In Silico Discovery of Anticancer Peptides from Sanghuang |
title_fullStr | In Silico Discovery of Anticancer Peptides from Sanghuang |
title_full_unstemmed | In Silico Discovery of Anticancer Peptides from Sanghuang |
title_short | In Silico Discovery of Anticancer Peptides from Sanghuang |
title_sort | in silico discovery of anticancer peptides from sanghuang |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9693127/ https://www.ncbi.nlm.nih.gov/pubmed/36430160 http://dx.doi.org/10.3390/ijms232213682 |
work_keys_str_mv | AT liuminghao insilicodiscoveryofanticancerpeptidesfromsanghuang AT lvjiachen insilicodiscoveryofanticancerpeptidesfromsanghuang AT chenliyuan insilicodiscoveryofanticancerpeptidesfromsanghuang AT liwannan insilicodiscoveryofanticancerpeptidesfromsanghuang AT hanweiwei insilicodiscoveryofanticancerpeptidesfromsanghuang |