{"title":"Integrated in silico and in vitro evaluation of five anticancer peptides identified from Salvia hispanica","authors":"","doi":"10.1016/j.procbio.2024.09.012","DOIUrl":null,"url":null,"abstract":"<div><p>According to the World Health Organization, cancer is a leading cause of death worldwide. Several bioactive molecules, such as peptides, have been developed to adjuvate in cancer therapy. Previous evidence showed that the peptides KLKKNL, MLKSKR, KKYRVF, FRTKKK, and SVVAKAPVGKR, identified from a protein fraction of <em>S. hispanica</em> seeds, may serve as adjuvant therapy based on their physicochemical properties. Thus, this work aimed to evaluate the cytotoxic effect of these peptides on cancer cells through <em>in silico</em> and <em>in vitro</em> assays. Molecular dynamics simulations were performed to determine the interaction of the peptides with a cancer cell membrane model. Additionally, cell viability assays were performed to assess the effect of the peptides on MCF-7, Caco2, HepG2, DU145, HeLa, and hFB cell lines, and on erythrocytes. Both <em>in silico</em> and <em>in vitro</em> evaluations reported that KLKKNL, MLKSKR, KKYRVF, FRTKKK, and SVVAKAPVGKR interacted with the cancer cell membrane, significantly decreasing their viability. Molecular dynamics of KKYRVF exhibited a stable interaction with the cancer cell membrane model (-3.2 Kcal·mol-1), and experimentally showed selective cytotoxicity on the cancer cell lines. These findings support the continuous assessment of these peptides as adjuvants in cancer treatment for their potential as ingredients in functional foods or nutraceuticals.</p></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":null,"pages":null},"PeriodicalIF":3.7000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Process Biochemistry","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S135951132400309X","RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
According to the World Health Organization, cancer is a leading cause of death worldwide. Several bioactive molecules, such as peptides, have been developed to adjuvate in cancer therapy. Previous evidence showed that the peptides KLKKNL, MLKSKR, KKYRVF, FRTKKK, and SVVAKAPVGKR, identified from a protein fraction of S. hispanica seeds, may serve as adjuvant therapy based on their physicochemical properties. Thus, this work aimed to evaluate the cytotoxic effect of these peptides on cancer cells through in silico and in vitro assays. Molecular dynamics simulations were performed to determine the interaction of the peptides with a cancer cell membrane model. Additionally, cell viability assays were performed to assess the effect of the peptides on MCF-7, Caco2, HepG2, DU145, HeLa, and hFB cell lines, and on erythrocytes. Both in silico and in vitro evaluations reported that KLKKNL, MLKSKR, KKYRVF, FRTKKK, and SVVAKAPVGKR interacted with the cancer cell membrane, significantly decreasing their viability. Molecular dynamics of KKYRVF exhibited a stable interaction with the cancer cell membrane model (-3.2 Kcal·mol-1), and experimentally showed selective cytotoxicity on the cancer cell lines. These findings support the continuous assessment of these peptides as adjuvants in cancer treatment for their potential as ingredients in functional foods or nutraceuticals.
期刊介绍:
Process Biochemistry is an application-orientated research journal devoted to reporting advances with originality and novelty, in the science and technology of the processes involving bioactive molecules and living organisms. These processes concern the production of useful metabolites or materials, or the removal of toxic compounds using tools and methods of current biology and engineering. Its main areas of interest include novel bioprocesses and enabling technologies (such as nanobiotechnology, tissue engineering, directed evolution, metabolic engineering, systems biology, and synthetic biology) applicable in food (nutraceutical), healthcare (medical, pharmaceutical, cosmetic), energy (biofuels), environmental, and biorefinery industries and their underlying biological and engineering principles.