Lorena dos Reis Pereira Queiroz, Fernando Veloso Caldeira Barcellos, Andréia Luiza Oliveira Costa, Vitória Regina Oliveira de Melo, Maria Rafaela Pereira Lacerda, André Luiz Sena Guimarães
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A tool, with adaptations, was used to assess the quality of the studies found.</div></div><div><h3>Results</h3><div>Fifty-three articles were included after checking all eligibility criteria. About proteins, Akt1, EGFR, HIF1a, among others, were identified as the most frequently occurring. Similarly, Quercetin, Epigallocatechin-3-gallate, Curcumin, Kaempferol, and Luteolin were the most prevalent among the compounds. The most commonly utilized databases for the retrieval of structures were PubChem and the RCSB Protein Data Bank. AutoDock, Maestro, AutoDock Vina, and PyMOL were some of the most used software.</div></div><div><h3>Conclusions</h3><div>Molecular docking has proven to be an effective tool for identifying potential biomarkers and bioactive compounds for treating OSCC.</div></div>","PeriodicalId":45034,"journal":{"name":"Journal of Oral and Maxillofacial Surgery Medicine and Pathology","volume":"37 6","pages":"Pages 1159-1166"},"PeriodicalIF":0.4000,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular docking and molecules of interest for oral squamous cell carcinoma: A systematic review\",\"authors\":\"Lorena dos Reis Pereira Queiroz, Fernando Veloso Caldeira Barcellos, Andréia Luiza Oliveira Costa, Vitória Regina Oliveira de Melo, Maria Rafaela Pereira Lacerda, André Luiz Sena Guimarães\",\"doi\":\"10.1016/j.ajoms.2025.06.002\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Objective</h3><div>To compile published works on molecular docking to verify its effectiveness in identifying bioactive compounds and potential biomarkers targeted at the treatment of oral squamous cell carcinoma (OSCC).</div></div><div><h3>Methods</h3><div>This systematic review follows the recommendations of the Preferred Reporting Items for Systematic Reviews and Meta-Analyses and also registered in PROSPERO. 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引用次数: 0
摘要
目的整理已发表的分子对接研究成果,验证分子对接在鉴别口腔鳞癌(OSCC)靶向治疗生物活性化合物和潜在生物标志物方面的有效性。方法本系统评价遵循系统评价和荟萃分析首选报告项目的建议,并在PROSPERO上注册。使用PubMed、Web of Science、Science Direct和谷歌Scholar数据库搜索文章。使用一种具有适应性的工具来评估所发现研究的质量。结果经检查,纳入53篇文献。关于蛋白质,Akt1, EGFR, HIF1a等被确定为最常见的。同样,槲皮素、表没食子儿茶素-3-没食子酸酯、姜黄素、山奈酚和木犀草素是这些化合物中最普遍的。最常用的结构检索数据库是PubChem和RCSB Protein Data Bank。AutoDock, Maestro, AutoDock Vina和PyMOL是一些最常用的软件。结论分子对接是鉴别OSCC潜在生物标志物和生物活性化合物的有效工具。
Molecular docking and molecules of interest for oral squamous cell carcinoma: A systematic review
Objective
To compile published works on molecular docking to verify its effectiveness in identifying bioactive compounds and potential biomarkers targeted at the treatment of oral squamous cell carcinoma (OSCC).
Methods
This systematic review follows the recommendations of the Preferred Reporting Items for Systematic Reviews and Meta-Analyses and also registered in PROSPERO. The PubMed, Web of Science, Science Direct, and Google Scholar databases were used to search for articles. A tool, with adaptations, was used to assess the quality of the studies found.
Results
Fifty-three articles were included after checking all eligibility criteria. About proteins, Akt1, EGFR, HIF1a, among others, were identified as the most frequently occurring. Similarly, Quercetin, Epigallocatechin-3-gallate, Curcumin, Kaempferol, and Luteolin were the most prevalent among the compounds. The most commonly utilized databases for the retrieval of structures were PubChem and the RCSB Protein Data Bank. AutoDock, Maestro, AutoDock Vina, and PyMOL were some of the most used software.
Conclusions
Molecular docking has proven to be an effective tool for identifying potential biomarkers and bioactive compounds for treating OSCC.