{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T18:02:54Z","timestamp":1781028174008,"version":"3.54.1"},"reference-count":133,"publisher":"Public Library of Science (PLoS)","issue":"6","license":[{"start":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T00:00:00Z","timestamp":1780963200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Deanship of Scientific Research (DSR) at King Abdulaziz University","award":["IPP: 314-117-2025"],"award-info":[{"award-number":["IPP: 314-117-2025"]}]}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS One"],"abstract":"<jats:p>\n                    Foodborne pathogen\n                    <jats:italic>Listeria monocytogenes<\/jats:italic>\n                    causes listeriosis, a rare but deadly condition. Internalin A (\n                    <jats:italic>InlA<\/jats:italic>\n                    ) and Listeriolysin O (\n                    <jats:italic>LLO<\/jats:italic>\n                    ), its main virulence factors, facilitate adhesion, invasion, intracellular survival, and intercellular spreading, making them interesting therapeutic targets.\n                    <jats:italic>L. monocytogenes<\/jats:italic>\n                    infections are becoming harder to treat because of antibiotic resistance; hence, flavonoids are being considered. An integrated\n                    <jats:italic>in-silico<\/jats:italic>\n                    technique was used to test plant-derived flavonoids\u2019 inhibitory efficacy against these proteins. For both targets, three modes of docking (HTVS, SP, and XP docking) were used for the preliminary screening from a library of 1,254 flavonoids. While CIDs 441667, 15126294, and 187808 showed favorable\n                    <jats:italic>in-silico<\/jats:italic>\n                    profiles for\n                    <jats:italic>InlA<\/jats:italic>\n                    with scores of \u22128.461, \u22127.578, and \u22127.521 kcal\/mol, respectively, CIDs 441699, 443648, and 442868 showed the best affinity for\n                    <jats:italic>LLO<\/jats:italic>\n                    with values of \u22127.446, \u22125.991, and \u22125.852 kcal\/mol, respectively. Admet analysis predicted the drug-likeness and safety characteristics of the compounds. Subsequently, the QM calculation was employed to examine the interaction of these compounds with the receptor, alongside their MEP and NBO characteristics. The selected ligands and the control ampicillin for both proteins were utilized to build protein-ligand complexes, subsequently assessed via a 100 ns molecular dynamics simulation. Subsequent post-simulation MM-GBSA, PCA and DCCM analysis of the trajectories evaluated their dynamic stability concerning\n                    <jats:italic>InlA<\/jats:italic>\n                    and\n                    <jats:italic>LLO<\/jats:italic>\n                    . CIDs 441667 and 15126294 for\n                    <jats:italic>InlA<\/jats:italic>\n                    , as well as CIDs 441699 and 443648 for\n                    <jats:italic>LLO<\/jats:italic>\n                    , have been identified as potential inhibitors, establishing a basis for future in vivo investigations and experimental validation.\n                  <\/jats:p>","DOI":"10.1371\/journal.pone.0351129","type":"journal-article","created":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T17:33:28Z","timestamp":1781026408000},"page":"e0351129","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":0,"title":["Integrative computational analysis of plant-derived flavonoids as inhibitors of Listeriolysin O and Internalin A in Listeria monocytogenes"],"prefix":"10.1371","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-3619-8345","authenticated-orcid":true,"given":"Shahadul 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samples","volume":"5","author":"VB Hemalata","year":"2016","journal-title":"Int J Curr Microbiol Appl Sci"},{"key":"pone.0351129.ref003","doi-asserted-by":"crossref","first-page":"4674235","DOI":"10.1155\/2020\/4674235","article-title":"Review on Major Food-Borne Zoonotic Bacterial Pathogens","volume":"2020","author":"E Abebe","year":"2020","journal-title":"J Trop Med"},{"issue":"1","key":"pone.0351129.ref004","doi-asserted-by":"crossref","first-page":"1","DOI":"10.5851\/kosfa.2020.e75","article-title":"Etiological Agents Implicated in Foodborne Illness World Wide","volume":"41","author":"H Lee","year":"2021","journal-title":"Food Sci Anim Resour"},{"issue":"1","key":"pone.0351129.ref005","doi-asserted-by":"crossref","first-page":"2509","DOI":"10.1080\/21505594.2021.1975526","article-title":"Pathogenicity and virulence of Listeria monocytogenes: A trip from environmental to medical microbiology","volume":"12","author":"JJ Quereda","year":"2021","journal-title":"Virulence"},{"key":"pone.0351129.ref006","doi-asserted-by":"crossref","first-page":"100082","DOI":"10.1016\/j.jafr.2020.100082","article-title":"Antibiotic susceptibility pattern of Listeria spp. isolated from cattle farm environment in Bangladesh","volume":"2","author":"AH Shourav","year":"2020","journal-title":"Journal of Agriculture and Food Research"},{"issue":"4","key":"pone.0351129.ref007","doi-asserted-by":"crossref","DOI":"10.1111\/cmi.13186","article-title":"Listeria monocytogenes, a model in infection biology","volume":"22","author":"M Lecuit","year":"2020","journal-title":"Cell Microbiol"},{"issue":"1","key":"pone.0351129.ref008","doi-asserted-by":"crossref","DOI":"10.1128\/cmr.00060-19","article-title":"Human listeriosis","volume":"36","author":"MM Koopmans","year":"2023","journal-title":"Clin Microbiol Rev"},{"issue":"1","key":"pone.0351129.ref009","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1038\/s41597-022-01278-6","article-title":"A European-wide dataset to uncover adaptive traits of Listeria monocytogenes to diverse ecological niches","volume":"9","author":"B F\u00e9lix","year":"2022","journal-title":"Sci Data"},{"issue":"1","key":"pone.0351129.ref010","doi-asserted-by":"crossref","DOI":"10.1038\/msb.2012.11","article-title":"Comparative transcriptomics of pathogenic and non\u2010pathogenic Listeria species","volume":"8","author":"O Wurtzel","year":"2012","journal-title":"Molecular Systems Biology"},{"issue":"1","key":"pone.0351129.ref011","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1038\/nrmicro.2017.126","article-title":"Listeria monocytogenes: towards a complete picture of its physiology and pathogenesis","volume":"16","author":"L Radoshevich","year":"2018","journal-title":"Nat Rev Microbiol"},{"issue":"4","key":"pone.0351129.ref012","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1056\/NEJM198301273080407","article-title":"Epidemic listeriosis--evidence for transmission by food","volume":"308","author":"WF Schlech","year":"1983","journal-title":"N Engl J Med"},{"key":"pone.0351129.ref013","doi-asserted-by":"crossref","first-page":"48","DOI":"10.1016\/j.ijid.2019.04.021","article-title":"Changing epidemiology of Listeria monocytogenes outbreaks, sporadic cases, and recalls globally: A review of ProMED reports from 1996 to 2018","volume":"84","author":"AN Desai","year":"2019","journal-title":"Int J Infect Dis"},{"key":"pone.0351129.ref014","doi-asserted-by":"crossref","first-page":"104750","DOI":"10.1016\/j.tifs.2024.104750","article-title":"Mapping the landscape of listeriosis outbreaks (1998\u20132023): Trends, challenges, and regulatory responses in the United States","volume":"154","author":"Y Su","year":"2024","journal-title":"Trends in Food Science 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identify potential terpenes against Internalin A protein of Listeria monocytogenes","volume":"4","author":"D K","year":"2024","journal-title":"Front Bioinform"},{"issue":"5","key":"pone.0351129.ref019","doi-asserted-by":"crossref","first-page":"734","DOI":"10.3201\/eid1405.071395","article-title":"Increasing incidence of listeriosis in France and other European countries","volume":"14","author":"V Goulet","year":"2008","journal-title":"Emerg Infect Dis"},{"issue":"5","key":"pone.0351129.ref020","doi-asserted-by":"crossref","first-page":"607","DOI":"10.3201\/eid0505.990502","article-title":"Food-related illness and death in the United States","volume":"5","author":"PS Mead","year":"1999","journal-title":"Emerg Infect Dis"},{"issue":"1","key":"pone.0351129.ref021","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1111\/j.1472-765X.2012.03262.x","article-title":"Antimicrobial activities of therapeutic herbal plants against Listeria monocytogenes and the herbal plant cytotoxicity on Caco-2 cell","volume":"55","author":"Y Yoon","year":"2012","journal-title":"Lett Appl Microbiol"},{"issue":"6","key":"pone.0351129.ref022","doi-asserted-by":"crossref","first-page":"1473","DOI":"10.4315\/0362-028X-69.6.1473","article-title":"Cold stress tolerance of Listeria monocytogenes: A review of molecular adaptive mechanisms and food safety implications","volume":"69","author":"T Tasara","year":"2006","journal-title":"J Food Prot"},{"issue":"6","key":"pone.0351129.ref023","doi-asserted-by":"crossref","first-page":"923","DOI":"10.1016\/S0092-8674(00)81070-3","article-title":"E-cadherin is the receptor for internalin, a surface protein required for entry of L. monocytogenes into epithelial cells","volume":"84","author":"J Mengaud","year":"1996","journal-title":"Cell"},{"issue":"11","key":"pone.0351129.ref024","doi-asserted-by":"crossref","DOI":"10.1101\/cshperspect.a010009","article-title":"Entry of Listeria monocytogenes in mammalian epithelial cells: an updated view","volume":"2","author":"J Pizarro-Cerd\u00e1","year":"2012","journal-title":"Cold Spring Harb Perspect Med"},{"issue":"2","key":"pone.0351129.ref025","doi-asserted-by":"crossref","first-page":"950","DOI":"10.1128\/IAI.01570-06","article-title":"ActA is required for crossing of the fetoplacental barrier by Listeria monocytogenes","volume":"75","author":"A Le Monnier","year":"2007","journal-title":"Infect Immun"},{"issue":"12","key":"pone.0351129.ref026","doi-asserted-by":"crossref","first-page":"5309","DOI":"10.1128\/iai.65.12.5309-5319.1997","article-title":"Internalin of Listeria monocytogenes with an intact leucine-rich repeat region is sufficient to promote internalization","volume":"65","author":"M Lecuit","year":"1997","journal-title":"Infect Immun"},{"issue":"2","key":"pone.0351129.ref027","doi-asserted-by":"crossref","first-page":"377","DOI":"10.1128\/MMBR.00039-06","article-title":"Listeria monocytogenes surface proteins: from genome predictions to function","volume":"71","author":"H Bierne","year":"2007","journal-title":"Microbiol Mol Biol Rev"},{"issue":"3","key":"pone.0351129.ref028","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1128\/CMR.14.3.584-640.2001","article-title":"Listeria pathogenesis and molecular virulence determinants","volume":"14","author":"JA V\u00e1zquez-Boland","year":"2001","journal-title":"Clin Microbiol Rev"},{"issue":"1726","key":"pone.0351129.ref029","doi-asserted-by":"crossref","first-page":"20160222","DOI":"10.1098\/rstb.2016.0222","article-title":"Listeriolysin O: from bazooka to Swiss army knife","volume":"372","author":"SE Osborne","year":"2017","journal-title":"Philos Trans R Soc Lond B Biol Sci"},{"issue":"6","key":"pone.0351129.ref030","doi-asserted-by":"crossref","DOI":"10.1016\/j.chom.2018.05.006","article-title":"The Listeriolysin O PEST-like Sequence Co-opts AP-2-Mediated Endocytosis to Prevent Plasma Membrane Damage during Listeria Infection","volume":"23","author":"C Chen","year":"2018","journal-title":"Cell Host Microbe"},{"issue":"9","key":"pone.0351129.ref031","doi-asserted-by":"crossref","DOI":"10.1111\/cmi.12854","article-title":"Actin-based motility allows Listeria monocytogenes to avoid autophagy in the macrophage cytosol","volume":"20","author":"MI Cheng","year":"2018","journal-title":"Cell Microbiol"},{"issue":"2","key":"pone.0351129.ref032","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1007\/s00404-017-4401-1","article-title":"Listeriosis during pregnancy","volume":"296","author":"M Madjunkov","year":"2017","journal-title":"Arch Gynecol Obstet"},{"key":"pone.0351129.ref033","doi-asserted-by":"crossref","unstructured":"Leber A, Zenclussen ML, Teles A, Brachwitz N, Casalis P, El-Mousleh T, et al. Pregnancy: Tolerance and Suppression of Immune Responses. In 2010. p. 397\u2013417.","DOI":"10.1007\/978-1-60761-869-0_25"},{"issue":"1","key":"pone.0351129.ref034","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1155\/2005\/734814","article-title":"Listeriosis prevention knowledge among pregnant women in the USA","volume":"13","author":"F Ogunmodede","year":"2005","journal-title":"Infect Dis Obstet Gynecol"},{"issue":"5","key":"pone.0351129.ref035","doi-asserted-by":"crossref","first-page":"510","DOI":"10.1016\/S1473-3099(16)30521-7","article-title":"Clinical features and prognostic factors of listeriosis: the MONALISA national prospective cohort study","volume":"17","author":"C Charlier","year":"2017","journal-title":"Lancet Infect Dis"},{"issue":"3","key":"pone.0351129.ref036","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1128\/mr.55.3.476-511.1991","article-title":"Listeria monocytogenes, a food-borne pathogen","volume":"55","author":"JM Farber","year":"1991","journal-title":"Microbiol Rev"},{"issue":"2","key":"pone.0351129.ref037","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1128\/CMR.17.2.323-347.2004","article-title":"Invasion of the central nervous system by intracellular bacteria","volume":"17","author":"DA Drevets","year":"2004","journal-title":"Clin Microbiol Rev"},{"issue":"6","key":"pone.0351129.ref038","doi-asserted-by":"crossref","DOI":"10.1128\/microbiolspec.GPP3-0013-2018","article-title":"Listeria monocytogenes: cell biology of invasion and intracellular growth. Fischetti VA, Novick RP, Ferretti JJ, Portnoy DA, Braunstein M, Rood JI, editors","author":"J Pizarro-Cerd\u00e1","year":"2018","journal-title":"Microbiol Spectr"},{"issue":"12","key":"pone.0351129.ref039","doi-asserted-by":"crossref","first-page":"1491","DOI":"10.3390\/pathogens11121491","article-title":"Listeria monocytogenes-How This Pathogen Uses Its Virulence Mechanisms to Infect the Hosts","volume":"11","author":"J Osek","year":"2022","journal-title":"Pathogens"},{"issue":"4","key":"pone.0351129.ref040","doi-asserted-by":"crossref","first-page":"300","DOI":"10.1007\/s11908-008-0049-0","article-title":"Central nervous system infection with Listeria monocytogenes","volume":"10","author":"HE Clauss","year":"2008","journal-title":"Curr Infect Dis Rep"},{"issue":"8","key":"pone.0351129.ref041","doi-asserted-by":"crossref","first-page":"744","DOI":"10.1007\/BF01989983","article-title":"Choroiditis and meningitis in experimental murine infection with Listeria monocytogenes","volume":"11","author":"N Prats","year":"1992","journal-title":"Eur J Clin Microbiol Infect Dis"},{"issue":"2","key":"pone.0351129.ref042","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1111\/j.1574-695X.2008.00404.x","article-title":"Listeria monocytogenes: epidemiology, human disease, and mechanisms of brain invasion","volume":"53","author":"DA Drevets","year":"2008","journal-title":"FEMS Immunol Med Microbiol"},{"issue":"10","key":"pone.0351129.ref043","doi-asserted-by":"crossref","first-page":"1216","DOI":"10.1016\/j.micinf.2007.05.009","article-title":"Human listeriosis and animal models","volume":"9","author":"M Lecuit","year":"2007","journal-title":"Microbes Infect"},{"issue":"3","key":"pone.0351129.ref044","doi-asserted-by":"crossref","first-page":"296","DOI":"10.1016\/j.artd.2019.06.005","article-title":"Unusual Listeria monocytogenes hematogenous infection in total knee replacement treated with one-stage revision surgery","volume":"5","author":"F Diaz-Dilernia","year":"2019","journal-title":"Arthroplast Today"},{"issue":"11","key":"pone.0351129.ref045","doi-asserted-by":"crossref","DOI":"10.1097\/MEG.0000000000000188","article-title":"Listeria monocytogenes infection in inflammatory bowel disease patients","volume":"26","author":"J Miranda-Bautista","year":"2014","journal-title":"Eur J Gastroenterol Hepatol"},{"issue":"3","key":"pone.0351129.ref046","doi-asserted-by":"crossref","first-page":"1811","DOI":"10.3390\/molecules15031811","article-title":"Antimicrobial, cytotoxicity and phytochemical screening of Jordanian plants used in traditional medicine","volume":"15","author":"WH Talib","year":"2010","journal-title":"Molecules"},{"issue":"6","key":"pone.0351129.ref047","doi-asserted-by":"crossref","first-page":"1243","DOI":"10.1111\/1541-4337.12298","article-title":"Plant Polyphenols as Antioxidant and Antibacterial Agents for Shelf-Life Extension of Meat and Meat Products: Classification, Structures, Sources, and Action Mechanisms","volume":"16","author":"C Papuc","year":"2017","journal-title":"Compr Rev Food Sci Food Saf"},{"issue":"1","key":"pone.0351129.ref048","doi-asserted-by":"crossref","first-page":"91","DOI":"10.4103\/jrptps.jrptps_6_18","article-title":"New insights into the therapeutic effects of phenolic acids from sorghum seeds","volume":"8","author":"M Nhiri","year":"2019","journal-title":"J Rep Pharma Sci"},{"issue":"2","key":"pone.0351129.ref049","doi-asserted-by":"crossref","first-page":"79","DOI":"10.3831\/KPI.2022.25.2.79","article-title":"Potential Role of Bioactive Phytochemicals in Combination Therapies against Antimicrobial Activity","volume":"25","author":"A Choudhury","year":"2022","journal-title":"J Pharmacopuncture"},{"issue":"1","key":"pone.0351129.ref050","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1007\/s11101-018-9591-z","article-title":"Comprehensive review of antimicrobial activities of plant flavonoids","volume":"18","author":"I G\u00f3rniak","year":"2019","journal-title":"Phytochem Rev"},{"issue":"1","key":"pone.0351129.ref051","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1002\/ptr.6208","article-title":"Antibacterial activity of flavonoids and their structure-activity relationship: An update review","volume":"33","author":"F Farhadi","year":"2019","journal-title":"Phytother Res"},{"issue":"5","key":"pone.0351129.ref052","doi-asserted-by":"crossref","first-page":"1184","DOI":"10.3390\/molecules30051184","article-title":"Botanical flavonoids: efficacy, absorption, metabolism and advanced pharmaceutical technology for improving bioavailability","volume":"30","author":"L Hu","year":"2025","journal-title":"Molecules"},{"key":"pone.0351129.ref053","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1007\/978-3-319-24274-3_5","article-title":"Secondary Metabolites of Plants.","volume-title":"Medicinal Orchids of Asia","author":"ES Teoh","year":"2016"},{"key":"pone.0351129.ref054","doi-asserted-by":"crossref","DOI":"10.3389\/fmicb.2022.1103476","article-title":"Antibacterial activity and mechanism of flavonoids from Chimonanthus salicifolius S. Y. Hu. and its transcriptome analysis against Staphylococcus aureus","volume":"13","author":"H Zhou","year":"2023","journal-title":"Front Microbiol"},{"issue":"2","key":"pone.0351129.ref055","doi-asserted-by":"crossref","DOI":"10.1007\/s11101-014-9358-0","article-title":"Flavonoid compounds as reversal agents of the P-glycoprotein-mediated multidrug resistance: biology, chemistry and pharmacology","volume":"14","author":"A Ferreira","year":"2015","journal-title":"Phytochem Rev"},{"issue":"10","key":"pone.0351129.ref056","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1007\/s11094-016-1345-x","article-title":"Flavonoids as potential immunosuppressants affecting intracellular signaling pathways (a review)","volume":"49","author":"SI Pavlova","year":"2016","journal-title":"Pharm Chem J"},{"key":"pone.0351129.ref057","doi-asserted-by":"crossref","first-page":"113635","DOI":"10.1016\/j.jep.2020.113635","article-title":"Molecular mechanisms underlying the anticancer activities of licorice flavonoids","volume":"267","author":"Z Zhang","year":"2021","journal-title":"J Ethnopharmacol"},{"key":"pone.0351129.ref058","article-title":"The neuromodulatory effects of flavonoids and gut microbiota through the gut-brain axis","volume":"13","author":"H Wang","year":"2023","journal-title":"Frontiers in Cellular and Infection Microbiology"},{"issue":"10","key":"pone.0351129.ref059","doi-asserted-by":"crossref","first-page":"1803","DOI":"10.1007\/s00204-014-1330-7","article-title":"Bioavailability, bioactivity and impact on health of dietary flavonoids and related compounds: an update","volume":"88","author":"A Rodriguez-Mateos","year":"2014","journal-title":"Arch Toxicol"},{"key":"pone.0351129.ref060","article-title":"Composition of the essential oils, antioxidant and antibacterial activities of the methanolic extract of Prangos uloptera","author":"A Valibeik","year":"2022","journal-title":"Immunopathol Persa"},{"issue":"19","key":"pone.0351129.ref061","doi-asserted-by":"crossref","first-page":"8411","DOI":"10.1007\/s00253-016-7536-2","article-title":"Three important amino acids control the regioselectivity of flavonoid glucosidation in glycosyltransferase-1 from Bacillus cereus","volume":"100","author":"H-H Chiu","year":"2016","journal-title":"Appl Microbiol Biotechnol"},{"issue":"4","key":"pone.0351129.ref062","doi-asserted-by":"crossref","first-page":"1149","DOI":"10.3390\/molecules27041149","article-title":"Antibacterial Effects of Flavonoids and Their Structure-Activity Relationship Study: A Comparative Interpretation","volume":"27","author":"NF Shamsudin","year":"2022","journal-title":"Molecules"},{"issue":"12","key":"pone.0351129.ref063","doi-asserted-by":"crossref","first-page":"1451","DOI":"10.3390\/ph6121451","article-title":"Effect of essential oils on pathogenic bacteria","volume":"6","author":"F Nazzaro","year":"2013","journal-title":"Pharmaceuticals (Basel)"},{"issue":"2","key":"pone.0351129.ref064","doi-asserted-by":"crossref","first-page":"72","DOI":"10.1016\/j.eimc.2019.03.010","article-title":"Effect of subinhibitory concentrations of ampicillin on Listeria monocytogenes","volume":"38","author":"\u00c1 Rodr\u00edguez-Villodres","year":"2020","journal-title":"Enferm Infecc Microbiol Clin (Engl Ed)"},{"key":"pone.0351129.ref065","article-title":"\u03b2-Lactam potentiators to re-sensitize resistant pathogens: Discovery, development, clinical use and the way forward","volume":"13","author":"L Narendrakumar","year":"2022","journal-title":"Front Microbiol"},{"key":"pone.0351129.ref066","doi-asserted-by":"crossref","first-page":"1","DOI":"10.47363\/JPRSR\/2022(3)129","article-title":"Clinical Pharmacology of Ampicillin","author":"G Bereda","year":"2022","journal-title":"J Pharma Res 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Commun"},{"issue":"7","key":"pone.0351129.ref070","doi-asserted-by":"crossref","first-page":"4291","DOI":"10.1021\/acs.jctc.1c00302","article-title":"OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space","volume":"17","author":"C Lu","year":"2021","journal-title":"J Chem Theory Comput"},{"key":"pone.0351129.ref071","unstructured":"Schr\u00f6dinger Release Notes - Release 2023-1."},{"issue":"1","key":"pone.0351129.ref072","article-title":"Molecular Docking: From Lock and Key to Combination Lock","volume":"2","author":"A Tripathi","year":"2017","journal-title":"J Mol Med Clin Appl"},{"issue":"3","key":"pone.0351129.ref073","doi-asserted-by":"crossref","first-page":"480","DOI":"10.2174\/1570180819666220922103109","article-title":"Molecular docking: principles, advances, and its applications in drug discovery","volume":"21","author":"MT Muhammed","year":"2022","journal-title":"Lett Drug Des Discov"},{"key":"pone.0351129.ref074","doi-asserted-by":"crossref","first-page":"101522","DOI":"10.1016\/j.imu.2024.101522","article-title":"Insights into novel inhibitors intending HCMV protease a computational molecular modelling investigation for antiviral drug repurposing","volume":"48","author":"NH Siddiquee","year":"2024","journal-title":"Informatics in Medicine Unlocked"},{"key":"pone.0351129.ref075","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"46","author":"CA Lipinski","year":"2001","journal-title":"Adv Drug Deliv Rev"},{"issue":"9","key":"pone.0351129.ref076","doi-asserted-by":"crossref","first-page":"4066","DOI":"10.1021\/acs.jmedchem.5b00104","article-title":"pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures","volume":"58","author":"DEV Pires","year":"2015","journal-title":"J Med Chem"},{"issue":"12","key":"pone.0351129.ref077","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0310802","article-title":"Nature\u2019s defense against emerging neurodegenerative threats: Dynamic simulation, PCA, DCCM identified potential plant-based antiviral lead targeting borna disease virus nucleoprotein","volume":"19","author":"NH Siddiquee","year":"2024","journal-title":"PLoS One"},{"issue":"2011","key":"pone.0351129.ref078","first-page":"20120488","article-title":"Density functional theory across chemistry, physics and biology","volume":"372","author":"T van Mourik","year":"2014","journal-title":"Philos Trans A Math Phys Eng Sci"},{"key":"pone.0351129.ref079","doi-asserted-by":"crossref","first-page":"139924","DOI":"10.1016\/j.molstruc.2024.139924","article-title":"Molecular docking, QSAR, and simulation analyses of EGFR-targeting phytochemicals in non-small cell lung 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Calculations, and molecular dynamics simulation approaches. 2021."},{"key":"pone.0351129.ref083","doi-asserted-by":"crossref","DOI":"10.1109\/SC.2006.54","article-title":"Scalable algorithms for molecular dynamics simulations on commodity clusters","volume-title":"Proc 2006 ACM\/IEEE Conf Supercomput SC\u201906","author":"KJ Bowers","year":"2006"},{"issue":"17","key":"pone.0351129.ref084","doi-asserted-by":"crossref","first-page":"11278","DOI":"10.1039\/D3RA01145C","article-title":"Molecular docking, molecular dynamics simulations and in vitro screening reveal cefixime and ceftriaxone as GSK3\u03b2 covalent inhibitors","volume":"13","author":"H Nassar","year":"2023","journal-title":"RSC Adv"},{"issue":"25","key":"pone.0351129.ref085","doi-asserted-by":"crossref","first-page":"17359","DOI":"10.1074\/jbc.M600861200","article-title":"Cyanidin-3-glucoside, a natural product derived from blackberry, exhibits chemopreventive and chemotherapeutic activity","volume":"281","author":"M Ding","year":"2006","journal-title":"J Biol Chem"},{"issue":"7","key":"pone.0351129.ref086","doi-asserted-by":"crossref","first-page":"2589","DOI":"10.1021\/jf048068b","article-title":"Systematic identification and characterization of anthocyanins by HPLC-ESI-MS\/MS in common foods in the United States: fruits and berries","volume":"53","author":"X Wu","year":"2005","journal-title":"J Agric Food Chem"},{"issue":"1","key":"pone.0351129.ref087","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1111\/j.1365-2621.1971.tb02046.x","article-title":"Anthocy anins in red onion, Allium cepa","volume":"36","author":"T Fuleki","year":"1971","journal-title":"Journal of Food Science"},{"issue":"4","key":"pone.0351129.ref088","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1016\/j.pathophys.2011.03.001","article-title":"Vascular mechanisms of cyanidin-3-glucoside response in streptozotocin-diabetic rats","volume":"18","author":"S Nasri","year":"2011","journal-title":"Pathophysiology"},{"issue":"9","key":"pone.0351129.ref089","doi-asserted-by":"crossref","first-page":"1097","DOI":"10.1016\/S0024-3205(03)00356-4","article-title":"Protective effects of cyanidin-3-O-glucoside from blackberry extract against peroxynitrite-induced endothelial dysfunction and vascular failure","volume":"73","author":"I Serraino","year":"2003","journal-title":"Life Sci"},{"issue":"7","key":"pone.0351129.ref090","doi-asserted-by":"crossref","first-page":"2125","DOI":"10.1093\/jn\/133.7.2125","article-title":"Dietary cyanidin 3-O-\u03b2-D-glucoside-rich purple corn color prevents obesity and ameliorates hyperglycemia in mice","volume":"133","author":"T Tsuda","year":"2003","journal-title":"J Nutr"},{"issue":"1","key":"pone.0351129.ref091","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.jnutbio.2003.07.004","article-title":"Cyanidins: metabolism and biological properties","volume":"15","author":"F Galvano","year":"2004","journal-title":"J Nutr Biochem"},{"key":"pone.0351129.ref092","doi-asserted-by":"crossref","first-page":"5392","DOI":"10.1016\/B0-12-227055-X\/01112-3","article-title":"Soy (soya) beans | dietary importance.","author":"AM Fehily","year":"2003","journal-title":"Encycl Food Sci Nutr"},{"issue":"13","key":"pone.0351129.ref093","doi-asserted-by":"crossref","first-page":"1829","DOI":"10.2165\/00003495-200767130-00003","article-title":"Ampicillin\/sulbactam: current status in severe bacterial infections","volume":"67","author":"PI Rafailidis","year":"2007","journal-title":"Drugs"},{"key":"pone.0351129.ref094","doi-asserted-by":"crossref","first-page":"14","DOI":"10.2165\/00003495-198600312-00004","article-title":"A comparison of parenteral sulbactam\/ampicillin versus clindamycin\/gentamicin in the treatment of pelvic inflammatory disease","author":"J Gunning","year":"1986","journal-title":"Drugs"},{"issue":"3","key":"pone.0351129.ref095","doi-asserted-by":"crossref","first-page":"1370","DOI":"10.1016\/j.foodchem.2011.01.103","article-title":"Quantitative analysis of phenolic compounds in Chinese hawthorn (Crataegus spp.) fruits by high performance liquid chromatography-electrospray ionisation mass spectrometry","volume":"127","author":"P Liu","year":"2011","journal-title":"Food Chem"},{"key":"pone.0351129.ref096","unstructured":"AroniaReview2010.pdf."},{"issue":"4","key":"pone.0351129.ref097","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1016\/j.jfca.2007.11.006","article-title":"Characterization of the antioxidant composition of strawberry tree (Arbutus unedo L.) fruits","volume":"21","author":"K Pallauf","year":"2008","journal-title":"Journal of Food Composition and Analysis"},{"issue":"8","key":"pone.0351129.ref098","doi-asserted-by":"crossref","first-page":"2174","DOI":"10.1021\/jf021043x","article-title":"Composition and stability of anthocyanins in blue-grained wheat","volume":"51","author":"E-SM Abdel-Aal","year":"2003","journal-title":"J Agric Food Chem"},{"issue":"11","key":"pone.0351129.ref099","doi-asserted-by":"crossref","first-page":"5935","DOI":"10.1021\/jf201593n","article-title":"Phenolic composition and antioxidant activity in seed coats of 60 Chinese black soybean (Glycine max L. Merr.) varieties","volume":"59","author":"RF Zhang","year":"2011","journal-title":"J Agric Food Chem"},{"issue":"5","key":"pone.0351129.ref100","doi-asserted-by":"crossref","first-page":"1445","DOI":"10.1007\/s10068-012-0190-2","article-title":"Antioxidant activity of cyanidins isolated from Ogapy (Acanthopanax divaricatus var. albeofructus) fruits in U937 macrophages","volume":"21","author":"S-Y Lyu","year":"2012","journal-title":"Food Sci Biotechnol"},{"issue":"20","key":"pone.0351129.ref101","doi-asserted-by":"crossref","first-page":"6122","DOI":"10.1021\/jf049517a","article-title":"Effects of commercial anthocyanin-rich extracts on colonic cancer and nontumorigenic colonic cell growth","volume":"52","author":"C Zhao","year":"2004","journal-title":"J Agric Food Chem"},{"key":"pone.0351129.ref102","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/j.fitote.2015.06.009","article-title":"Chokeberry (Aronia melanocarpa (Michx.) Elliot) concentrate inhibits NF-\u03baB and synergizes with selenium to inhibit the release of pro-inflammatory mediators in macrophages","volume":"105","author":"K Appel","year":"2015","journal-title":"Fitoterapia"},{"issue":"2","key":"pone.0351129.ref103","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1358\/mf.2007.29.2.1075349","article-title":"Hypoglycemic and hypolipidemic effects of Aronia melanocarpa fruit juice in streptozotocin-induced diabetic rats","volume":"29","author":"S Valcheva-Kuzmanova","year":"2007","journal-title":"Methods Find Exp Clin Pharmacol"},{"issue":"2","key":"pone.0351129.ref104","first-page":"305","article-title":"Drinking of chokeberry juice from the ecological farm Dzieciolowo and distensibility of brachial artery in men with mild hypercholesterolemia","volume":"16","author":"R Poreba","year":"2009","journal-title":"Ann Agric Environ Med"},{"key":"pone.0351129.ref105","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/j.jchromb.2017.11.025","article-title":"An effective method for preparation of high-purity pelargonidin-3-O-glucoside from strawberry and its protective effect on cellular oxidative stress","volume":"1072","author":"Y Xu","year":"2018","journal-title":"J Chromatogr B Analyt Technol Biomed Life Sci"},{"key":"pone.0351129.ref106","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1016\/j.biopha.2016.06.021","article-title":"Pelargonidin improves memory deficit in amyloid \u03b225-35 rat model of Alzheimer\u2019s disease by inhibition of glial activation, cholinesterase, and oxidative stress","volume":"83","author":"H Sohanaki","year":"2016","journal-title":"Biomed Pharmacother"},{"key":"pone.0351129.ref107","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/j.jchromb.2017.11.025","article-title":"An effective method for preparation of high-purity pelargonidin-3-O-glucoside from strawberry and its protective effect on cellular oxidative stress","volume":"1072","author":"Y Xu","year":"2018","journal-title":"J Chromatogr B Analyt Technol Biomed Life Sci"},{"key":"pone.0351129.ref108","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1016\/j.foodchem.2017.12.015","article-title":"Molecular mechanism of action of Pelargonidin-3-O-glucoside, the main anthocyanin responsible for the anti-inflammatory effect of strawberry fruits","volume":"247","author":"LJ Duarte","year":"2018","journal-title":"Food Chem"},{"key":"pone.0351129.ref109","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/j.freeradbiomed.2018.08.024","article-title":"Procyanidin B2 ameliorates free fatty acids-induced hepatic steatosis through regulating TFEB-mediated lysosomal pathway and redox state","volume":"126","author":"H Su","year":"2018","journal-title":"Free Radic Biol Med"},{"issue":"51","key":"pone.0351129.ref110","doi-asserted-by":"crossref","first-page":"45064","DOI":"10.1039\/C5RA20984F","article-title":"Pelargonidin induces apoptosis and cell cycle arrest via a mitochondria mediated intrinsic apoptotic pathway in HT29 cells","volume":"6","author":"N Karthi","year":"2016","journal-title":"RSC Adv"},{"issue":"3","key":"pone.0351129.ref111","first-page":"569","article-title":"Chronic oral pelargonidin alleviates learning and memory disturbances in streptozotocin diabetic rats","volume":"10","author":"M Mirshekar","year":"2011","journal-title":"Iran J Pharm Res"},{"issue":"12","key":"pone.0351129.ref112","first-page":"3019","article-title":"Phyllospadine, a new flavonoidal alkaloid from the sea-grass phyllosphadix iwatensis","volume":"44","author":"M Takagi","year":"1980","journal-title":"Agric Biol Chem"},{"issue":"6","key":"pone.0351129.ref113","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0326655","article-title":"Computational design and cheminformatics profiling of omeprazole derivatives for enhanced proton pump inhibition of potassium-transporting ATPase alpha chain 1","volume":"20","author":"M Hasan","year":"2025","journal-title":"PLoS One"},{"issue":"1","key":"pone.0351129.ref114","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1007\/s40199-019-00243-w","article-title":"Optimization of structures, biochemical properties of ketorolac and its degradation products based on computational studies","volume":"27","author":"M Uzzaman","year":"2019","journal-title":"Daru"},{"issue":"1","key":"pone.0351129.ref115","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1080\/15421406.2014.991135","article-title":"Spectroscopic and quantum chemical studies of (Z)-N\u2032-(3-(hidroksiimino)butan-2-ylidene)-4-metilbenzensulfonohidrazide ligand","volume":"616","author":"F G\u00fcntepe","year":"2015","journal-title":"Mol Cryst Liq 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El-Demerdash","year":"2021","journal-title":"RSC Adv"},{"issue":"10","key":"pone.0351129.ref119","doi-asserted-by":"crossref","first-page":"2733","DOI":"10.1080\/07391102.2018.1496139","article-title":"Molecular dynamics simulations provide insights into the origin of gleevec\u2019s selectivity toward human tyrosine kinases","volume":"37","author":"L Wang","year":"2019","journal-title":"J Biomol Struct Dyn"},{"issue":"1","key":"pone.0351129.ref120","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1002\/pro.3923","article-title":"The Bio3D packages for structural bioinformatics","volume":"30","author":"BJ Grant","year":"2020","journal-title":"Protein Science"},{"issue":"1","key":"pone.0351129.ref121","article-title":"Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein","volume":"11","author":"FADM Opo","year":"2021","journal-title":"Sci Rep"},{"issue":"2","key":"pone.0351129.ref122","doi-asserted-by":"crossref","first-page":"1361","DOI":"10.1093\/bib\/bbaa382","article-title":"Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro","volume":"22","author":"S Bharadwaj","year":"2021","journal-title":"Brief Bioinform"},{"key":"pone.0351129.ref123","doi-asserted-by":"crossref","first-page":"1407331","DOI":"10.3389\/fchem.2024.1407331","article-title":"Cheminformatics-based identification of phosphorylated RET tyrosine kinase inhibitors for human cancer","volume":"12","author":"MEK Talukder","year":"2024","journal-title":"Front Chem"},{"issue":"62","key":"pone.0351129.ref124","doi-asserted-by":"crossref","first-page":"37707","DOI":"10.1039\/D0RA06379G","article-title":"Ilimaquinone (marine sponge metabolite) as a novel inhibitor of SARS-CoV-2 key target proteins in comparison with suggested COVID-19 drugs: designing, docking and molecular dynamics simulation study","volume":"10","author":"M Surti","year":"2020","journal-title":"RSC Adv"},{"key":"pone.0351129.ref125","doi-asserted-by":"crossref","first-page":"139924","DOI":"10.1016\/j.molstruc.2024.139924","article-title":"Molecular docking, QSAR, and simulation analyses of EGFR-targeting phytochemicals in non-small cell lung cancer","volume":"1321","author":"MEK Talukder","year":"2025","journal-title":"J Mol Struct"},{"issue":"5","key":"pone.0351129.ref126","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202401987","article-title":"Natural Products in Precision Neurological Disease (Cryptococcal Meningitis): Structure-Based Phytochemical Screening of Glycyrrhiza glabra Plant Against Cryptococcus neoformans Farnesyltransferase (FTase)","volume":"22","author":"NH Siddiquee","year":"2025","journal-title":"Chem Biodivers"},{"key":"pone.0351129.ref127","doi-asserted-by":"crossref","first-page":"709932","DOI":"10.3389\/fchem.2021.709932","article-title":"Inhibition of GSK_3\u03b2 by Iridoid Glycosides of Snowberry (Symphoricarpos albus) Effective in the Treatment of Alzheimer\u2019s Disease Using Computational Drug Design Methods","volume":"9","author":"M Eskandarzadeh","year":"2021","journal-title":"Front Chem"},{"issue":"1","key":"pone.0351129.ref128","doi-asserted-by":"crossref","first-page":"14179","DOI":"10.1038\/s41598-023-40818-x","article-title":"Dynamozones are the most obvious sign of the evolution of conformational dynamics in HIV-1 protease","volume":"13","author":"M Rahimi","year":"2023","journal-title":"Sci Rep"},{"key":"pone.0351129.ref129","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2025.127883","article-title":"Integrated immunoinformatics and reverse vaccinology assisted novel multi-epitope vaccine against Coxsackievirus A10 investigating its whole genome encoded polyprotein","volume":"433","author":"SK Mishra","year":"2025","journal-title":"J Mol 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