{"title":"邻苯二甲酸二乙酯作为群体感应抑制剂的硅和体外分析及其对MDA-MB-231细胞系的抗肿瘤评价。","authors":"Nagasundaram Rashiya, Jeyachandran Sangavi, Nagarajan Padmini, Kulanthaivel Langeswaran, Arun Alagarsamy, Gopal Selvakumar, Muthupandian Saravanan","doi":"10.1007/s11030-025-11202-w","DOIUrl":null,"url":null,"abstract":"<p><p>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<sub>50</sub> 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.</p>","PeriodicalId":708,"journal":{"name":"Molecular Diversity","volume":" ","pages":""},"PeriodicalIF":3.9000,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"In silico and in vitro analysis of diethyl phthalate as a quorum sensing inhibitor and its antitumor evaluation against MDA-MB-231 cell lines.\",\"authors\":\"Nagasundaram Rashiya, Jeyachandran Sangavi, Nagarajan Padmini, Kulanthaivel Langeswaran, Arun Alagarsamy, Gopal Selvakumar, Muthupandian Saravanan\",\"doi\":\"10.1007/s11030-025-11202-w\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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<sub>50</sub> 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.</p>\",\"PeriodicalId\":708,\"journal\":{\"name\":\"Molecular Diversity\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-04-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Diversity\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1007/s11030-025-11202-w\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Diversity","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s11030-025-11202-w","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
In silico and in vitro analysis of diethyl phthalate as a quorum sensing inhibitor and its antitumor evaluation against MDA-MB-231 cell lines.
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 IC50 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.
期刊介绍:
Molecular Diversity is a new publication forum for the rapid publication of refereed papers dedicated to describing the development, application and theory of molecular diversity and combinatorial chemistry in basic and applied research and drug discovery. The journal publishes both short and full papers, perspectives, news and reviews dealing with all aspects of the generation of molecular diversity, application of diversity for screening against alternative targets of all types (biological, biophysical, technological), analysis of results obtained and their application in various scientific disciplines/approaches including:
combinatorial chemistry and parallel synthesis;
small molecule libraries;
microwave synthesis;
flow synthesis;
fluorous synthesis;
diversity oriented synthesis (DOS);
nanoreactors;
click chemistry;
multiplex technologies;
fragment- and ligand-based design;
structure/function/SAR;
computational chemistry and molecular design;
chemoinformatics;
screening techniques and screening interfaces;
analytical and purification methods;
robotics, automation and miniaturization;
targeted libraries;
display libraries;
peptides and peptoids;
proteins;
oligonucleotides;
carbohydrates;
natural diversity;
new methods of library formulation and deconvolution;
directed evolution, origin of life and recombination;
search techniques, landscapes, random chemistry and more;