Unveiling the cytotoxicity of Red Sea Moorena producens via LC-QTOF-MS/MS chemical profiling, network pharmacology, and molecular docking.

IF 4.8 3区 医学 Q1 MEDICAL LABORATORY TECHNOLOGY
Pharmaceutical Biology Pub Date : 2025-12-01 Epub Date: 2025-08-01 DOI:10.1080/13880209.2025.2534573
Esraa M Abdelhady, Mohammed N A Khalil, Mohamed A Rabeh, Saad A Alshehri, Omar Sabry, Mona M Hashem
{"title":"Unveiling the cytotoxicity of Red Sea <i>Moorena producens via</i> LC-QTOF-MS/MS chemical profiling, network pharmacology, and molecular docking.","authors":"Esraa M Abdelhady, Mohammed N A Khalil, Mohamed A Rabeh, Saad A Alshehri, Omar Sabry, Mona M Hashem","doi":"10.1080/13880209.2025.2534573","DOIUrl":null,"url":null,"abstract":"<p><strong>Context: </strong>Breast and liver cancers remain significant global health challenges, necessitating the discovery of novel anticancer agents. Marine cyanobacteria, such as <i>Moorena producens</i> belonging to the family: Oscillatoriaceae, are rich sources of bioactive compounds with potential anticancer properties.</p><p><strong>Objective: </strong>This study aims to identify and characterize bioactive compounds from <i>M. producens</i> and evaluate their anticancer activity against breast and liver cancer cell lines.</p><p><strong>Materials and methods: </strong><i>M. producens</i> was collected and authenticated using 16S rRNA sequencing. The ethanolic extract was analyzed using LC-QTOF-MS/MS to identify the potential bioactive metabolites. Network pharmacology analysis was employed to predict the potential targets of these compounds. The crude extract was fractionated, and the fractions were screened for the anticancer activity against MCF-7 and HepG2 cell lines.</p><p><strong>Results: </strong>LC-QTOF-MS/MS analysis identified 25 metabolites, including apocarotenoids, spirovetivane alkaloids, and toxins. Network pharmacology analysis suggested that malyngamide D, isomalyngamide I, mueggelone, 11,12-didehydrospironostoic acid, and 12-hydroxy-2-oxo-11-epi-hinesol were potential bioactive compounds targeting proto-oncogene tyrosine-protein kinase (Src), mitogen-activated protein kinase 3(MAPK3), and MAPK1 kinases. Molecular docking studies further supported these findings, with 11,12-didehydrospironostoic acid exhibiting strong binding affinities to Src and MAPK1 kinases. Among the nine fractions obtained, Fraction 1 showed the most potent anticancer activity against both MCF-7 and HepG2 cell lines, with IC<sub>50</sub> values, 59.63 ± 7.1 and 149.23 ± 0.9 µg/mL, respectively.</p><p><strong>Discussion and conclusion: </strong>The results of this study highlight the potential of <i>M. producens</i> as a source of novel anticancer compounds. Further investigation of the bioactive compounds in Fractions 1 and 2 may lead to the discovery of promising anticancer agents.</p>","PeriodicalId":19942,"journal":{"name":"Pharmaceutical Biology","volume":"63 1","pages":"549-566"},"PeriodicalIF":4.8000,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12320260/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pharmaceutical Biology","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.1080/13880209.2025.2534573","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/8/1 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"MEDICAL LABORATORY TECHNOLOGY","Score":null,"Total":0}
引用次数: 0

Abstract

Context: Breast and liver cancers remain significant global health challenges, necessitating the discovery of novel anticancer agents. Marine cyanobacteria, such as Moorena producens belonging to the family: Oscillatoriaceae, are rich sources of bioactive compounds with potential anticancer properties.

Objective: This study aims to identify and characterize bioactive compounds from M. producens and evaluate their anticancer activity against breast and liver cancer cell lines.

Materials and methods: M. producens was collected and authenticated using 16S rRNA sequencing. The ethanolic extract was analyzed using LC-QTOF-MS/MS to identify the potential bioactive metabolites. Network pharmacology analysis was employed to predict the potential targets of these compounds. The crude extract was fractionated, and the fractions were screened for the anticancer activity against MCF-7 and HepG2 cell lines.

Results: LC-QTOF-MS/MS analysis identified 25 metabolites, including apocarotenoids, spirovetivane alkaloids, and toxins. Network pharmacology analysis suggested that malyngamide D, isomalyngamide I, mueggelone, 11,12-didehydrospironostoic acid, and 12-hydroxy-2-oxo-11-epi-hinesol were potential bioactive compounds targeting proto-oncogene tyrosine-protein kinase (Src), mitogen-activated protein kinase 3(MAPK3), and MAPK1 kinases. Molecular docking studies further supported these findings, with 11,12-didehydrospironostoic acid exhibiting strong binding affinities to Src and MAPK1 kinases. Among the nine fractions obtained, Fraction 1 showed the most potent anticancer activity against both MCF-7 and HepG2 cell lines, with IC50 values, 59.63 ± 7.1 and 149.23 ± 0.9 µg/mL, respectively.

Discussion and conclusion: The results of this study highlight the potential of M. producens as a source of novel anticancer compounds. Further investigation of the bioactive compounds in Fractions 1 and 2 may lead to the discovery of promising anticancer agents.

通过LC-QTOF-MS/MS化学分析、网络药理学、分子对接等手段揭示红海赤藓属植物的细胞毒性。
背景:乳腺癌和肝癌仍然是重大的全球健康挑战,需要发现新的抗癌药物。海洋蓝藻,如morena产品属于家族:振荡菌科,是具有潜在抗癌特性的生物活性化合物的丰富来源。目的:鉴定产乳杆菌的活性成分,并评价其对乳腺癌和肝癌细胞的抗肿瘤活性。材料与方法:采用16S rRNA测序法对产霉进行鉴定。采用LC-QTOF-MS/MS对乙醇提取物进行分析,鉴定潜在的生物活性代谢物。利用网络药理学分析预测这些化合物的潜在靶点。对粗提物进行分离,筛选其对MCF-7和HepG2细胞株的抗癌活性。结果:LC-QTOF-MS/MS分析鉴定出25种代谢物,包括类麻瓜素、螺维甲烷生物碱和毒素。网络药理学分析表明,麻豆酰胺D、异麻豆酰胺I、mueggelone、11,12-二脱氢螺壳酸和12-羟基-2-氧-11-表苯乙烯醇是潜在的靶向原癌基因酪氨酸蛋白激酶(Src)、丝裂原活化蛋白激酶3(MAPK3)和MAPK1激酶的生物活性化合物。分子对接研究进一步支持了这些发现,11,12-二脱氢螺壳酸与Src和MAPK1激酶具有很强的结合亲和力。所得9个部位中,部位1对MCF-7和HepG2细胞株的抑癌活性最强,IC50值分别为59.63±7.1和149.23±0.9µg/mL。讨论与结论:本研究的结果突出了产分枝杆菌作为新型抗癌化合物来源的潜力。进一步研究组分1和组分2中的生物活性化合物可能会发现有前途的抗癌药物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Pharmaceutical Biology
Pharmaceutical Biology 医学-药学
CiteScore
6.70
自引率
2.60%
发文量
191
审稿时长
1 months
期刊介绍: Pharmaceutical Biology will publish manuscripts describing the discovery, methods for discovery, description, analysis characterization, and production/isolation (including sources and surveys) of biologically-active chemicals or other substances, drugs, pharmaceutical products, or preparations utilized in systems of traditional medicine. Topics may generally encompass any facet of natural product research related to pharmaceutical biology. Papers dealing with agents or topics related to natural product drugs are also appropriate (e.g., semi-synthetic derivatives). Manuscripts will be published as reviews, perspectives, regular research articles, and short communications. The primary criteria for acceptance and publication are scientific rigor and potential to advance the field.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信