多柔比星在皮肤癌中的潜在分子靶点的鉴定:网络药理学和分子对接的视角。

IF 1.7 4区 医学 Q4 BIOCHEMICAL RESEARCH METHODS
Sonali Karhana, Sanjula Baboota, Mohd Ashif Khan, Javed Ali
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引用次数: 0

摘要

主要目的是发现阿霉素的药理学靶点及其作用机制,重点关注它们在皮肤癌治疗中的治疗相关性以及它们在癌细胞对阿霉素的耐药性中的潜在参与。从多个数据库中检索阿霉素的皮肤癌靶点和潜在靶点。利用GeneVenn工具选择共同靶点,导入STRING数据库,构建蛋白-蛋白相互作用网络。利用Cytoscape评估拓扑因子以确定核心靶点。FunRich用于识别信号通路、分子功能、细胞成分和涉及顶级靶点的生物过程。利用分子操作环境软件进行分子对接。阿霉素治疗皮肤癌的前5个靶点基因分别是多聚腺苷核糖(adp -核糖)聚合酶、表皮生长因子受体、热休克蛋白90 α家族A类成员1、哈维大鼠肉瘤病毒癌基因同源物和雷帕霉素的哺乳动物靶点。此外,还预测了阿霉素诱导的耐药机制。有必要进一步研究给药阿霉素的创新方法,以最大限度地提高其治疗皮肤癌的有效性,并防止对该药物产生耐药性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Identification of Potential Molecular Targets of Doxorubicin for Application in Skin Cancer: A Network Pharmacology and Molecular Docking Perspective.

The primary objective was to find the pharmacological targets of doxorubicin and their mechanisms of action, with a dual focus on their therapeutic relevance in skin cancer treatment and their potential involvement in resistance to doxorubicin in cancer cells. The targets of skin cancer and potential targets of doxorubicin were searched from multiple databases. Common targets were chosen using the GeneVenn tool and then imported into the STRING database to construct a protein-protein interaction network. Topological factors were evaluated with Cytoscape to identify core targets. FunRich was used to identify the signaling pathways, molecular functions, cellular components, and biological processes involving the top targets. Molecular docking was conducted using the Molecular Operating Environment software. The top five target genes identified as therapeutic targets of doxorubicin for treatment of skin cancer are poly(ADP-ribose) polymerase, epidermal growth factor receptors, heat shock protein 90 alpha family class A member 1, Harvey rat sarcoma viral oncogene homolog, and mammalian target of rapamycin. In addition, doxorubicin-induced resistance mechanisms were also predicted. Further research on innovative methods of delivering doxorubicin to maximize its effectiveness in treating skin cancer and to prevent the development of resistance to the drug is necessary.

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来源期刊
Assay and drug development technologies
Assay and drug development technologies 医学-生化研究方法
CiteScore
3.60
自引率
0.00%
发文量
33
审稿时长
>12 weeks
期刊介绍: ASSAY and Drug Development Technologies provides access to novel techniques and robust tools that enable critical advances in early-stage screening. This research published in the Journal leads to important therapeutics and platforms for drug discovery and development. This reputable peer-reviewed journal features original papers application-oriented technology reviews, topical issues on novel and burgeoning areas of research, and reports in methodology and technology application. ASSAY and Drug Development Technologies coverage includes: -Assay design, target development, and high-throughput technologies- Hit to Lead optimization and medicinal chemistry through preclinical candidate selection- Lab automation, sample management, bioinformatics, data mining, virtual screening, and data analysis- Approaches to assays configured for gene families, inherited, and infectious diseases- Assays and strategies for adapting model organisms to drug discovery- The use of stem cells as models of disease- Translation of phenotypic outputs to target identification- Exploration and mechanistic studies of the technical basis for assay and screening artifacts
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