{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T04:12:16Z","timestamp":1793679136463,"version":"4.5.1"},"reference-count":87,"publisher":"American Chemical Society (ACS)","issue":"37","license":[{"start":{"date-parts":[[2026,7,6]],"date-time":"2026-07-06T00:00:00Z","timestamp":1783296000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,22]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Curcumin and 5-bromoindole-3-carboxaldehyde were tested for their ability to inhibit quorum sensing-dependent virulence factors in Pseudomonas aeruginosa strains Pa01, Pa14, and ATCC 27853. The compounds were evaluated at curcumin (1 and 5 \u03bcg\/mL) and 5-bromoindole-3-carboxaldehyde (30, 50, and 100 \u03bcg\/mL). Virulence factors\u2500exoprotease, elastase, pyocyanin, and alginate\u2500were measured. Chemoinformatics properties were analyzed using Molinspiration, Molsoft, Osiris Property Explorer, pkCSM, and SwissADME. Results showed 5-bromoindole-3-carboxaldehyde significantly reduced pyocyanin in Pa01 (92.5% at 100 \u03bcg\/mL), elastase (79.85% at 100 \u03bcg\/mL), exoprotease (92.8% at 50 \u03bcg\/mL), and alginate in ATCC 27853 (76.16% at 100 \u03bcg\/mL). Curcumin effectively inhibited pyocyanin in ATCC 27853 (100% at 5 \u03bcg\/mL), elastase in Pa14 (56.19% at 5 \u03bcg\/mL), exoprotease in Pa01 (87.04% at 5 \u03bcg\/mL), and alginate (48.26% at 5 \u03bcg\/mL). Both compounds demonstrated strong inhibition of virulence factors, suggesting their potential as antivirulence agents against P. aeruginosa, a highly resistant bacterium prevalent in nosocomial infections.<\/jats:p>","DOI":"10.1021\/acsomega.6c02161","type":"journal-article","created":{"date-parts":[[2026,7,6]],"date-time":"2026-07-06T15:47:28Z","timestamp":1783352848000},"page":"55164-55183","source":"Crossref","is-referenced-by-count":2,"title":["Molecular Insight into the Inhibition of\n                    <i>Pseudomonas aeruginosa<\/i>\n                    Quorum Sensing by 5-Bromoindole-3-carboxaldehyde\nand Curcumin: A Combined In Vitro Study, Molecular Dynamics, and Docking\nStudies"],"prefix":"10.1021","volume":"11","author":[{"given":"Gabriel","family":"Marti\u0301nez Gonza\u0301lez","sequence":"first","affiliation":[{"name":"Universidad de Ixtlahuaca CUI , , Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0634-2784","authenticated-orcid":true,"given":"Jose\u0301 Marcos","family":"Falco\u0301n-Gonza\u0301lez","sequence":"additional","affiliation":[{"name":"Instituto Politecnico Nacional , , Avenida Mineral de Valenciana 200 Col. Fraccionamiento Industrial Puerto Interior , , ,","place":["Silao de la Victoria, Guanajuato, Mexico, 36275"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8475-2282","authenticated-orcid":true,"given":"Rodolfo","family":"Garci\u0301a Contreras","sequence":"additional","affiliation":[{"name":"Universidad Nacional Autonoma de Mexico , , Circuito Interior s\/n, Avenida Universidad 3000, Ciudad Universitaria , ,","place":["Coyoaca\u0301n, Mexico, 04510"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6461-957X","authenticated-orcid":true,"given":"Juan Andres","family":"Alvarado-Salazar","sequence":"additional","affiliation":[{"name":"Universidad Nacional Autonoma de Mexico , , Batalla 5 de Mayo S\/N, Eje\u0301rcito de Oriente Zona Pen\u0303o\u0301n , ,","place":["Iztapalapa, Mexico, 09230"]},{"name":"Universidad Nacional Autonoma de Mexico , , Batalla 5 de Mayo S\/N, Eje\u0301rcito de Oriente Zona Pen\u0303o\u0301n , ,","place":["Iztapalapa, Mexico, 09230"]},{"name":"Instituto Politecnico Nacional , , Salvador Di\u0301az Miro\u0301n esq. Plan de San Luis S\/N, Miguel Hidalgo, Casco de Santo Tomas, Miguel Hidalgo , ,","place":["Mexico, Mexico, 11340"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Israel","family":"Garci\u0301a Valde\u0301s","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca , , CUI, Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nilda","family":"Garci\u0301a Valde\u0301s","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca , , CUI, Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Denisse Alejandra","family":"Lugo Gutie\u0301rrez","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca , , CUI, Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ingrid Lizeth","family":"Bustamante Marti\u0301nez","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca , , CUI, Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alonso Ruben","family":"Tescucano Alonso","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca CUI , , Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alejandra","family":"Ramirez-Villalva","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca CUI , , Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]},{"name":"Universidad Autonoma del Estado de Mexico , , P.\u00b0 Colo\u0301n S\/N, Residencial Colo\u0301n y Col Cipre\u0301s , ,","place":["Toluca de Lerdo, Mexico, 50120"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jorge A.","family":"Almeida","sequence":"additional","affiliation":[{"name":"Universidad de Ixtlahuaca , , CUI, Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]},{"name":"Universidad de Ixtlahuaca CUI , , Ixtlahuaca Jiquipilco Manzana 067 , , ,","place":["San Pedro, San Pedro la Cabecera, Mexico, 50740"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,7,6]]},"reference":[{"issue":"3","key":"2026092210565999700_cit1","doi-asserted-by":"publisher","first-page":"300","DOI":"10.3390\/pathogens11030300","article-title":"Pathogenesis\nof the Pseudomonas Aeruginosa Biofilm: A Review","volume":"11","author":"Tuon","year":"2022","journal-title":"Pathogens"},{"issue":"3","key":"2026092210565999700_cit2","doi-asserted-by":"publisher","first-page":"169","DOI":"10.1097\/MRM.0000000000000271","article-title":"Pseudomonas\nAeruginosa in the Healthcare\nFacility Setting","volume":"32","author":"Spagnolo","year":"2021","journal-title":"Rev. Med. Microbiol."},{"key":"2026092210565999700_cit3","doi-asserted-by":"publisher","first-page":"39","DOI":"10.3389\/fcimb.2017.00039","article-title":"Pseudomonas\nAeruginosa Lifestyle:\nA Paradigm for Adaptation, Survival, and Persistence","volume":"7","author":"Moradali","year":"2017","journal-title":"Front. Cell. Infect. Microbiol."},{"issue":"18","key":"2026092210565999700_cit4","doi-asserted-by":"publisher","first-page":"2117","DOI":"10.1007\/s40265-021-01635-6","article-title":"The Epidemiology and\nPathogenesis and Treatment of\nPseudomonas Aeruginosa Infections: An Update","volume":"81","author":"Reynolds","year":"2021","journal-title":"Drugs"},{"issue":"1","key":"2026092210565999700_cit5","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1016\/j.biotechadv.2018.11.013","article-title":"Antibiotic\nResistance in Pseudomonas Aeruginosa: Mechanisms and Alternative Therapeutic\nStrategies","volume":"37","author":"Pang","year":"2019","journal-title":"Biotechnol. Adv."},{"issue":"1","key":"2026092210565999700_cit6","doi-asserted-by":"publisher","first-page":"199","DOI":"10.1038\/s41392-022-01056-1","article-title":"Pseudomonas Aeruginosa:\nPathogenesis, Virulence Factors, Antibiotic Resistance, Interaction\nwith Host, Technology Advances and Emerging Therapeutics","volume":"7","author":"Qin","year":"2022","journal-title":"Signal Transduct. Target. Ther."},{"issue":"7","key":"2026092210565999700_cit7","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0270576","article-title":"Pseudomonas Aeruginosa\nClinical Blood\nIsolates Display Significant Phenotypic Variability","volume":"17","author":"Scheffler","year":"2022","journal-title":"PLoS One"},{"issue":"1","key":"2026092210565999700_cit8","doi-asserted-by":"publisher","first-page":"161","DOI":"10.1186\/s12866-023-02897-8","article-title":"Prevalence\nof Different Virulence Factors and Their Association with Antimicrobial\nResistance among Pseudomonas Aeruginosa Clinical Isolates from Egypt","volume":"23","author":"Edward","year":"2023","journal-title":"BMC Microbiol."},{"issue":"6","key":"2026092210565999700_cit9","doi-asserted-by":"publisher","first-page":"3128","DOI":"10.3390\/ijms22063128","article-title":"Pseudomonas Aeruginosa: An Audacious\nPathogen with an Adaptable Arsenal of Virulence Factors","volume":"22","author":"Jurado-Marti\u0301n","year":"2021","journal-title":"IJMS"},{"issue":"3\u20134","key":"2026092210565999700_cit10","first-page":"79","article-title":"Inhibition\nof Virulence Factors of Pseudomonas Aeruginosa by Diclofenac Sodium","volume":"74","author":"Abbas","year":"2015","journal-title":"Roum. Arch. Microbiol. Immunol."},{"issue":"8","key":"2026092210565999700_cit11","doi-asserted-by":"publisher","first-page":"5123","DOI":"10.1007\/s00203-021-02499-w","article-title":"Anti-Quorum\nSensing Potential of Ketoprofen and Its Derivatives against Pseudomonas\nAeruginosa: Insights to in Silico and in Vitro Studies","volume":"203","author":"Tajani","year":"2021","journal-title":"Arch. Microbiol."},{"issue":"1","key":"2026092210565999700_cit12","doi-asserted-by":"publisher","first-page":"198","DOI":"10.1128\/AAC.00612-07","article-title":"Inhibition of Quorum\nSensing-Controlled\nVirulence Factor Production in Pseudomonas Aeruginosa by South Florida Plant Extracts","volume":"52","author":"Adonizio","year":"2008","journal-title":"Antimicrob.\nAgents Chemother."},{"issue":"5","key":"2026092210565999700_cit13","doi-asserted-by":"publisher","first-page":"70","DOI":"10.1007\/s11274-020-02846-x","article-title":"Effect of Curcumin on the Expression of ahyI\/R Quorum\nSensing Genes and Some Associated Phenotypes in Pathogenic Aeromonas\nHydrophila Fish Isolates","volume":"36","author":"Tanhay Mangoudehi","year":"2020","journal-title":"World J. Microbiol.\nBiotechnol."},{"key":"2026092210565999700_cit14","doi-asserted-by":"publisher","first-page":"110929","DOI":"10.1016\/j.foodres.2021.110929","article-title":"Flavonoids, Anthocyanins, Betalains, Curcumin, and\nCarotenoids: Sources, Classification and Enhanced Stabilization by\nEncapsulation and Adsorption","volume":"153","author":"Luiza Koop","year":"2022","journal-title":"Food Res. Int."},{"key":"2026092210565999700_cit15","doi-asserted-by":"publisher","first-page":"453","DOI":"10.1016\/j.foodchem.2012.08.002","article-title":"Inhibition\nof Biofilm\nDevelopment of Uropathogens by Curcumin \u2013 An Anti-Quorum Sensing\nAgent from Curcuma Longa","volume":"148","author":"Packiavathy","year":"2014","journal-title":"Food Chem."},{"issue":"3","key":"2026092210565999700_cit16","doi-asserted-by":"publisher","first-page":"459","DOI":"10.3390\/antiox11030459","article-title":"The Natural\nProduct Curcumin as an Antibacterial Agent: Current Achievements\nand Problems","volume":"11","author":"Dai","year":"2022","journal-title":"Antioxidants"},{"issue":"1","key":"2026092210565999700_cit17","doi-asserted-by":"publisher","first-page":"9048245","DOI":"10.1155\/2022\/9048245","article-title":"Multidrug-Resistant\nBiofilm, Quorum Sensing, Quorum Quenching, and Antibacterial Activities\nof Indole Derivatives as Potential Eradication Approaches","volume":"2022","author":"Odularu","year":"2022","journal-title":"BioMed Res. 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Bacteriol."},{"issue":"9","key":"2026092210565999700_cit23","doi-asserted-by":"publisher","first-page":"fiad086","DOI":"10.1093\/femsec\/fiad086","article-title":"Exoprotease\nExploitation and Social Cheating in a Pseudomonas Aeruginosa Environmental Lysogenic Strain with a Noncanonical Quorum Sensing\nSystem","volume":"99","author":"Huelgas-Me\u0301ndez","year":"2023","journal-title":"FEMS Microbiol. Ecol."},{"key":"2026092210565999700_cit24","doi-asserted-by":"publisher","first-page":"2322","DOI":"10.3389\/fmicb.2019.02322","article-title":"Seeding Public\nGoods Is Essential for Maintaining Cooperation in Pseudomonas Aeruginosa","volume":"10","author":"Loarca","year":"2019","journal-title":"Front. 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Bacteriol."},{"issue":"1","key":"2026092210565999700_cit27","doi-asserted-by":"publisher","first-page":"8","DOI":"10.3390\/ph15010008","article-title":"Repositioning of\nEtravirine as a\nPotential CK1\u03b5 Inhibitor by Virtual Screening","volume":"15","author":"Co\u0301rdova-Bahena","year":"2022","journal-title":"Pharmaceuticals"},{"key":"2026092210565999700_cit28","doi-asserted-by":"publisher","first-page":"2024082205","DOI":"10.20944\/preprints202408.2205.v1","article-title":"In Silico\nand In Vivo Evaluation of Novel 2-Aminobenzothiazole Derivative Compounds\nas Antidiabetic Agents","volume":"30","author":"Alvarado Salazar","year":"2024","journal-title":"August"},{"issue":"52","key":"2026092210565999700_cit29","doi-asserted-by":"publisher","first-page":"39004","DOI":"10.1039\/D4RA06228K","article-title":"Synthesis, Characterization,\nBiological Activities, and Computational Studies of Pyrazolyl\u2013Thiazole\nDerivatives of Thiophene","volume":"14","author":"Bhagwat","year":"2024","journal-title":"RSC Adv."},{"issue":"2","key":"2026092210565999700_cit30","doi-asserted-by":"publisher","first-page":"384","DOI":"10.1021\/ci300399w","article-title":"Consensus\nDocking: Improving the Reliability of Docking\nin a Virtual Screening Context","volume":"53","author":"Houston","year":"2013","journal-title":"J. Chem. Inf.\nModel."},{"issue":"23","key":"2026092210565999700_cit31","doi-asserted-by":"publisher","first-page":"3676","DOI":"10.1093\/bioinformatics\/btw514","article-title":"PRODIGY: A\nWeb Server for Predicting the Binding Affinity of Protein\u2013Protein\nComplexes","volume":"32","author":"Xue","year":"2016","journal-title":"Bioinformatics"},{"issue":"1","key":"2026092210565999700_cit32","doi-asserted-by":"publisher","first-page":"1","DOI":"10.5958\/0974-4150.2021.00014.6","article-title":"Review on Discovery\nStudio: An Important Tool for Molecular\nDocking","volume":"14","author":"Pawar","year":"2021","journal-title":"Asian J. Res. Chem."},{"issue":"16","key":"2026092210565999700_cit33","doi-asserted-by":"publisher","first-page":"1701","DOI":"10.1002\/jcc.20291","article-title":"GROMACS: Fast, Flexible, and Free","volume":"26","author":"Van Der Spoel","year":"2005","journal-title":"J. Comput. Chem."},{"key":"2026092210565999700_cit34","unstructured":"Lindahl, A.; Hess, S. V. D.\n          GROMACS 2020 Source\nCode, 2020."},{"issue":"9","key":"2026092210565999700_cit35","doi-asserted-by":"publisher","first-page":"3257","DOI":"10.1021\/ct300400x","article-title":"Optimization of the Additive CHARMM All-Atom Protein\nForce Field Targeting Improved Sampling of the Backbone \u03d5, \u03c8\nand Side-Chain \u03c71 and \u03c72 Dihedral\nAngles","volume":"8","author":"Best","year":"2012","journal-title":"J. Chem. Theory Comput."},{"issue":"4","key":"2026092210565999700_cit36","doi-asserted-by":"publisher","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM\nGeneral Force Field: A Force\nField for Drug-like Molecules Compatible with the CHARMM All-atom\nAdditive Biological Force Fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J. Comput.\nChem."},{"issue":"2","key":"2026092210565999700_cit37","doi-asserted-by":"publisher","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison\nof Simple Potential Functions for Simulating Liquid Water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"issue":"2","key":"2026092210565999700_cit38","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1007\/s10822-025-00675-4","article-title":"Interconversion\nof the (+)-O-Desmethyltramadol to the Lowest-Energy Conformer When\nCoupled to \u03bc-Opioid Receptor: Comprehensive Analysis Using in\nSilico Molecular Modeling","volume":"39","author":"Vela\u0301zquez-Ponce","year":"2025","journal-title":"J. Comput. Aided\nMol. Des"},{"issue":"12","key":"2026092210565999700_cit39","doi-asserted-by":"publisher","first-page":"7182","DOI":"10.1063\/1.328693","article-title":"Polymorphic Transitions\nin Single Crystals: A New Molecular\nDynamics Method","volume":"52","author":"Parrinello","year":"1981","journal-title":"J. Appl. Phys."},{"issue":"10","key":"2026092210565999700_cit40","doi-asserted-by":"publisher","first-page":"6281","DOI":"10.1021\/acs.jctc.1c00645","article-title":"gmx_MMPBSA:\nA New Tool to Perform End-State Free Energy Calculations with GROMACS","volume":"17","author":"Valde\u0301s-Tresanco","year":"2021","journal-title":"J. Chem. Theory Comput."},{"issue":"8","key":"2026092210565999700_cit41","doi-asserted-by":"publisher","first-page":"5379","DOI":"10.1021\/acs.jctc.1c00374","article-title":"On the Use of Interaction Entropy\nand Related Methods to Estimate\nBinding Entropies","volume":"17","author":"Ekberg","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"2026092210565999700_cit42","doi-asserted-by":"publisher","first-page":"843","DOI":"10.52711\/0974-360X.2024.00130","article-title":"In Silico ADME\/T\nPrediction of Steroidal Chalcone Derivatives\nUsing Swiss ADME and OSIRIS Explorer","volume":"17","author":"Mukadam","year":"2024","journal-title":"RJPT"},{"issue":"12","key":"2026092210565999700_cit43","doi-asserted-by":"publisher","first-page":"5530","DOI":"10.26355\/eurrev_202306_32790","article-title":"A Pharmacophore\nScreening Approach of Homeopathic Phenols for a Renovated Design of\nFragment-Optimized Bauhiniastatin-1 as a Drug against Acromegaly","volume":"27","author":"Naveed","year":"2023","journal-title":"Eur. Rev. Med. Pharmacol. Sci."},{"issue":"7","key":"2026092210565999700_cit44","doi-asserted-by":"publisher","first-page":"771","DOI":"10.1007\/s10822-021-00397-3","article-title":"Evaluation\nof Log P, pKa, and Log D Predictions from the SAMPL7 Blind Challenge","volume":"35","author":"Bergazin","year":"2021","journal-title":"J. Comput. Aided Mol. Des"},{"issue":"21","key":"2026092210565999700_cit45","doi-asserted-by":"publisher","first-page":"14261","DOI":"10.1021\/acs.jmedchem.2c01147","article-title":"Hydrogen-Bond\nDonors in Drug Design","volume":"65","author":"Kenny","year":"2022","journal-title":"J. Med. Chem."},{"issue":"1","key":"2026092210565999700_cit46","first-page":"102","article-title":"Ca\u0301lculo de\ndescriptores moleculares topon\u0303o\u0301gicos en flavonoides\ncon actividad anti-VIH-1","volume":"27","author":"Malave\u0301","year":"2015","journal-title":"Saber"},{"issue":"5","key":"2026092210565999700_cit47","doi-asserted-by":"publisher","first-page":"57","DOI":"10.1136\/dtb.2013.5.0255","article-title":"Is There More to\nLearn about Cytochrome P450 Enzymes?","volume":"52","year":"2014","journal-title":"DTB"},{"issue":"35","key":"2026092210565999700_cit48","doi-asserted-by":"publisher","first-page":"7606","DOI":"10.1021\/acs.jafc.5b00244","article-title":"Degradation of Curcumin:\nFrom Mechanism to Biological Implications","volume":"63","author":"Schneider","year":"2015","journal-title":"J.\nAgric. 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