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通过整合网络药理学和分子对接技术的方法评估月桂酸在口腔癌中的作用机制。

The assessment of the mechanism of action of lauric acid in the context of oral cancer through integrative approach combining network pharmacology and molecular docking technology.

机构信息

Department of Oral Pathology and Microbiology, Bharti Vidyapeeth, Deemed to be University, Dental College and Hospital, Navi Mumbai, India.

Dr. D. Y. Patil Dental College and Hospital, Dr. D. Y. Patil Vidyapeeth, Pimpri, Pune, India.

出版信息

J Complement Integr Med. 2024 Feb 5;21(1):101-112. doi: 10.1515/jcim-2023-0262. eCollection 2024 Mar 1.

Abstract

OBJECTIVES

Lauric acid has been investigated for its effects on various human cancer cell types, although limited research has been dedicated to its impact on oral cancer. In light of this, the objective of our study was to comprehensively assess the anticancer properties of lauric acid specifically in the context of oral cancer. This evaluation was achieved through an approach, leveraging network analysis techniques. By employing this methodology, we aimed to gain valuable insights into the potential therapeutic benefits of lauric acid for treating oral cancer.

METHODS

The analysis involved determination of drug-likeness prediction, prediction of common targets between oral cancer and LA, protein-protein interactions (PPI), hub genes, top 10 associated pathways by gene ontology (GO), Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathway, molecular docking experiments.

RESULTS

Our study pinpointed 23 common genes involved in critical cellular processes, including proliferation, apoptosis regulation, PI3K AKT cascade, and cell cycle control. Among them, CXCL8, MMP9, PPARA, MAPK1, and AR stood out in the top 10 pathways, particularly in the PI3K/AKT signaling pathway. This highlights the potential role of lauric acid in oral cancer treatment through the PI3K/AKT pathway and calls for further exploration of this mechanism.

CONCLUSIONS

Our study highlights lauric acid's promising anticancer properties through computational analysis, offering a foundation for future research in cancer treatment development. This approach combines molecular insights with methods, paving the way for identifying therapeutic compounds and understanding their mechanisms. Lauric acid holds potential as a chemotherapeutic agent, opening up new avenues for cancer therapy exploration.

摘要

目的

已研究月桂酸对各种人类癌细胞类型的影响,尽管针对口腔癌的影响研究有限。有鉴于此,我们的研究目的是全面评估月桂酸在口腔癌方面的抗癌特性。这项评估是通过一种整合方法,利用网络分析技术来实现的。通过采用这种方法,我们旨在深入了解月桂酸治疗口腔癌的潜在治疗益处。

方法

整合分析包括药物相似性预测、口腔癌和 LA 之间常见靶标的预测、蛋白质-蛋白质相互作用 (PPI)、枢纽基因、基因本体论 (GO) 中前 10 个相关途径、京都基因与基因组百科全书 (KEGG) 途径、分子对接实验。

结果

我们的研究确定了 23 个共同参与关键细胞过程的基因,包括增殖、凋亡调节、PI3K AKT 级联和细胞周期控制。其中,CXCL8、MMP9、PPARA、MAPK1 和 AR 在 top10 途径中尤为突出,特别是在 PI3K/AKT 信号通路中。这突出了月桂酸通过 PI3K/AKT 途径在口腔癌治疗中的潜在作用,并呼吁进一步探索这种机制。

结论

我们的研究通过计算分析突出了月桂酸有希望的抗癌特性,为癌症治疗开发的未来研究提供了基础。这种方法将分子见解与整合方法相结合,为识别治疗化合物和理解其机制开辟了道路。月桂酸作为一种化疗药物具有潜力,为癌症治疗探索开辟了新途径。

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