Exploring the Frontier of Cyclic Dipeptides: A Bioinformatics Approach to Potential Therapeutic Applications in Schizophrenia

doi:10.3390/ijms252111421

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	Exploring the Frontier of Cyclic Dipeptides: A Bioinformatics Approach to Potential Therapeutic Applications in Schizophrenia
	Li, Xingyu; Nong, Xuexiang; Yang, Jun; Li, Minyue; Wang, Qiuling; Sun, Min; Ma, Qichen; Xu, Ling; Wang, Yuehu
	2024
发表期刊	INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
ISSN	1661-6596
卷号	25 期号:21 页码:11421
摘要	Cyclic dipeptides (CDPs), known for their diverse biological activities, have potential therapeutic applications in mental and behavioral disorders (MBDs), particularly schizophrenia. This study explores the CDPs' therapeutic potential using bibliometric analysis, network pharmacology, molecular docking, and experimental verification, focusing on the interactions with the SIGMA1 receptor. A literature review over three decades utilizing the Web of Science Core Collection (WOSCC) was conducted to identify the emerging trends in CDPs research. A compound library was constructed from the PubChem database, and target prediction using SwissTargetPrediction revealed 800 potential protein targets. A compound-target network highlighted the key interactions with kinases, G protein-coupled receptors, and chromatin-modifying enzymes. Enrichment analysis revealed significant associations with schizophrenia and other MBDs. Schizophrenia-related targets among the potential protein targets were identified using the GEO database. Molecular docking results showed interactions of MC4R, OPRK1, SIGMA1, and CDK5R1 with various CDPs compounds, with SIGMA1 being especially noteworthy. Most CDPs exhibited lower binding energies than the control compounds NE-100 and duloxetine. Experimental validation demonstrated that CDPs such as Cyclo(Ala-Gln), Cyclo(Ala-His), and Cyclo(Val-Gly) exhibited IC50 values of 13.4, 19.4, and 11.5 mu M, respectively, against SIGMA1, indicating biological activity. Our findings underscore their potential as therapeutic agents for schizophrenia, highlighting the need for further modifications to enhance specificity and efficacy. This work paves the way for future investigations into CDPs, contributing to developing targeted treatments for schizophrenia and related mental health disorders.
DOI	10.3390/ijms252111421
WOS记录号	WOS:001351354500001
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/75790
专题	中国科学院昆明植物研究所
推荐引用方式 GB/T 7714	Li, Xingyu,Nong, Xuexiang,Yang, Jun,et al. Exploring the Frontier of Cyclic Dipeptides: A Bioinformatics Approach to Potential Therapeutic Applications in Schizophrenia[J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,2024,25(21):11421.
APA	Li, Xingyu.,Nong, Xuexiang.,Yang, Jun.,Li, Minyue.,Wang, Qiuling.,...&Wang, Yuehu.(2024).Exploring the Frontier of Cyclic Dipeptides: A Bioinformatics Approach to Potential Therapeutic Applications in Schizophrenia.INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,25(21),11421.
MLA	Li, Xingyu,et al."Exploring the Frontier of Cyclic Dipeptides: A Bioinformatics Approach to Potential Therapeutic Applications in Schizophrenia".INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 25.21(2024):11421.

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