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邻苯二甲酸二乙酯作为群体感应抑制剂的计算机模拟和体外分析及其对MDA-MB-231细胞系的抗肿瘤评估。

In silico and in vitro analysis of diethyl phthalate as a quorum sensing inhibitor and its antitumor evaluation against MDA-MB-231 cell lines.

作者信息

Rashiya Nagasundaram, Sangavi Jeyachandran, Padmini Nagarajan, Langeswaran Kulanthaivel, Alagarsamy Arun, Selvakumar Gopal, Saravanan Muthupandian

机构信息

Department of Microbiology, Alagappa University, Karaikudi, Tamil Nadu, 630003, India.

Department of Bioinformatics, Alagappa University, Karaikudi, Tamil Nadu, 630003, India.

出版信息

Mol Divers. 2025 Apr 28. doi: 10.1007/s11030-025-11202-w.

DOI:10.1007/s11030-025-11202-w
PMID:40293606
Abstract

Diethyl phthalate (DEP), a phthalate acid ester present in naturally occurring substances of living forms including flora, fauna, and microbes, particularly those of the Streptomyces genus, functions as an allelochemical, antibiotic, or pesticide to aid donor species in their adaption. In this in silico experiment, DEP was utilized as a quorum sensing inhibitor (QSI) against the quorum sensing (QS) protein of Chromobacterium violaceum and Pseudomonas aeruginosa such as CviR and LasR. We identified that quorum sensing system of both the organisms tested may be blocked due to the utilization of DEP, which contributes to our knowledge of the molecular process underlying QS-regulated behaviors. In vitro testing of the DEP anticancer efficacy over MDA-MB-231 cells, which revealed considerable cytotoxicity with an IC value found at 65 µg/mL. DEP reduced the development of MDA-MB-231 cells and caused cell death in a based on concentration. As a result, DEP could be a potential therapeutic alternative for microbial pathogens that create biofilms.

摘要

邻苯二甲酸二乙酯(DEP)是一种存在于包括植物、动物和微生物(特别是链霉菌属)在内的生物自然物质中的邻苯二甲酸酯,它作为一种化感物质、抗生素或杀虫剂,帮助供体物种适应环境。在这个计算机模拟实验中,DEP被用作群体感应抑制剂(QSI),针对紫色色杆菌和铜绿假单胞菌的群体感应(QS)蛋白,如CviR和LasR。我们发现,由于DEP的使用,所测试的两种生物体的群体感应系统可能会被阻断,这有助于我们了解QS调控行为背后的分子过程。对DEP对MDA-MB-231细胞的抗癌功效进行的体外测试显示,其具有相当大的细胞毒性,IC值为65μg/mL。DEP抑制了MDA-MB-231细胞的生长,并根据浓度导致细胞死亡。因此,DEP可能是对抗形成生物膜的微生物病原体的一种潜在治疗选择。

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本文引用的文献

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