{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T04:59:16Z","timestamp":1792040356642,"version":"4.4.0"},"reference-count":90,"publisher":"American Chemical Society (ACS)","issue":"5","license":[{"start":{"date-parts":[[2021,2,1]],"date-time":"2021-02-01T00:00:00Z","timestamp":1612137600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/pubs.acs.org\/page\/policy\/authorchoice_ccbyncnd_termsofuse.html"}],"funder":[{"DOI":"10.13039\/501100001409","name":"Department of Science and Technology, Ministry of Science and Technology","doi-asserted-by":"publisher","award":["NA"],"award-info":[{"award-number":["NA"]}],"id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001412","name":"Council of Scientific and Industrial Research","doi-asserted-by":"publisher","award":["NA"],"award-info":[{"award-number":["NA"]}],"id":[{"id":"10.13039\/501100001412","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["EMR\/2016\/001756"],"award-info":[{"award-number":["EMR\/2016\/001756"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2021,2,9]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Helicobacter pylori (H. pylori)\u2500a human gastric pathogen\u2500forms a major risk factor for the development of various gastric pathologies such as chronic inflammatory gastritis, peptic ulcer, lymphomas of mucosa-associated lymphoid tissues, and gastric carcinoma. The complete eradication of infection is the primary objective of treating any H. pylori-associated gastric condition. However, declining eradication efficiencies, off-target effects, and patient noncompliance to prolong and broad-spectrum antibiotic treatments has spurred the clinical interest to search for alternative effective and safer therapeutic options. As natural compounds are safe and privileged with high levels of antibacterial-activity, previous studies have tested and reported a plethora of such compounds with potential in vitro\/in vivo anti-H. pylori activity. However, the mode of action of majority of these natural compounds is unclear. The present study has been envisaged to compile the information of various such natural compounds and to evaluate their binding with histone-like DNA-binding proteins of H. pylori (referred here as Hup) using in silico molecular docking-based virtual screening experiments. Hup\u2500being a major nucleoid-associated protein expressed by H. pylori\u2500plays a strategic role in its survival and persistent colonization under hostile stress conditions. The ligand with highest binding energy with Hup\u2500that is, epigallocatechin-(\u2212)gallate (EGCG)\u2500was rationally selected for further computational and experimental testing. The best docking poses of EGCG with Hup were first evaluated for their solution stability using long run molecular dynamics simulations and then using fluorescence and nuclear magnetic resonance titration experiments which demonstrated that the binding of EGCG with Hup is fairly strong (the resultant apparent dissociation constant (kD) values were equal to 2.61 and 3.29 \u00b1 0.42 \u03bcM, respectively).<\/jats:p>","DOI":"10.1021\/acsomega.0c04763","type":"journal-article","created":{"date-parts":[[2021,2,2]],"date-time":"2021-02-02T01:57:31Z","timestamp":1612231051000},"page":"3548-3570","source":"Crossref","is-referenced-by-count":31,"title":["Epigallocatechin Gallate with Potent Anti-\n                    <i>Helicobacter pylori<\/i>\n                    Activity Binds Efficiently to\nIts Histone-like DNA Binding Protein"],"prefix":"10.1021","volume":"6","author":[{"given":"Ritu","family":"Raj","sequence":"first","affiliation":[{"name":"Centre of Biomedical Research (CBMR) , SGPGIMS Campus, Raibareli Road , , ,","place":["Lucknow, Uttar Pradesh, India, 226014"]},{"name":"University of Kalyani , , , ,","place":["Kalyani, West Bengal, India, 741235"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8392-2745","authenticated-orcid":true,"given":"Nipanshu","family":"Agarwal","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Roorkee , , , ,","place":["Roorkee, Uttarakhand, India, 247667"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3781-3921","authenticated-orcid":true,"given":"Sriram","family":"Raghavan","sequence":"additional","affiliation":[{"name":"RIKEN Center for Computational Science (R-CCS) , , ,","place":["Kobe, Japan, 650-0047"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tapati","family":"Chakraborti","sequence":"additional","affiliation":[{"name":"University of Kalyani , , , ,","place":["Kalyani, West Bengal, India, 741235"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3801-7134","authenticated-orcid":true,"given":"Krishna Mohan","family":"Poluri","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Roorkee , , , ,","place":["Roorkee, Uttarakhand, India, 247667"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gaurav","family":"Pande","sequence":"additional","affiliation":[{"name":"SGPGIMS , , , ,","place":["Lucknow, Uttar Pradesh, India, 226014"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8079-6739","authenticated-orcid":true,"given":"Dinesh","family":"Kumar","sequence":"additional","affiliation":[{"name":"Centre of Biomedical Research (CBMR) , SGPGIMS Campus, Raibareli Road , , ,","place":["Lucknow, Uttar Pradesh, India, 226014"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,2,1]]},"reference":[{"key":"2026090122212381000_cit1","doi-asserted-by":"publisher","first-page":"3071","DOI":"10.3748\/wjg.v24.i28.3071","article-title":"Helicobacter pylori in human health and disease: Mechanisms\nfor local gastric and systemic effects","volume":"24","author":"Bravo","year":"2018","journal-title":"World\nJ. Gastroenterol."},{"key":"2026090122212381000_cit2","doi-asserted-by":"publisher","first-page":"321","DOI":"10.1172\/jci20925","article-title":"Helicobacter pylori persistence: biology and disease","volume":"113","author":"Blaser","year":"2004","journal-title":"J. Clin. Invest."},{"key":"2026090122212381000_cit3","doi-asserted-by":"publisher","first-page":"1424","DOI":"10.3748\/wjg.v20.i6.1424","article-title":"Helicobacter pylori\ninfection: host immune response, implications on gene expression and\nmicroRNAs","volume":"20","author":"Cadamuro","year":"2014","journal-title":"World J. Gastroenterol."},{"key":"2026090122212381000_cit4","doi-asserted-by":"publisher","first-page":"446","DOI":"10.1016\/j.ijbiomac.2018.11.054","article-title":"Molecular\ninteraction between human SUMO-I and histone like DNA binding protein\nof Helicobacter pylori (Hup) investigated by NMR and other biophysical\ntools","volume":"123","author":"Jaiswal","year":"2019","journal-title":"Int. J. Biol. Macromol."},{"key":"2026090122212381000_cit5","doi-asserted-by":"publisher","first-page":"1175","DOI":"10.1056\/nejmra020542","article-title":"Helicobacter pylori infection","volume":"347","author":"Suerbaum","year":"2002","journal-title":"N. Engl. J. Med."},{"key":"2026090122212381000_cit6","doi-asserted-by":"publisher","first-page":"720","DOI":"10.1128\/cmr.10.4.720","article-title":"Helicobacter pylori","volume":"10","author":"Dunn","year":"1997","journal-title":"Clin. Microbiol. Rev."},{"key":"2026090122212381000_cit7","first-page":"535","article-title":"Helicobacter pylori infection","volume":"10","author":"Delaney","year":"2003","journal-title":"Clin. Evidence"},{"key":"2026090122212381000_cit8","doi-asserted-by":"publisher","DOI":"10.1111\/hel.12638","article-title":"Pathogenesis of Helicobacter pylori infection","volume":"24","author":"Chmiela","year":"2019","journal-title":"Helicobacter"},{"key":"2026090122212381000_cit9","first-page":"2111","article-title":"Infection with Helicobacter\npylori strains possessing cagA is associated with an increased risk\nof developing adenocarcinoma of the stomach","volume":"55","author":"Blaser","year":"1995","journal-title":"Cancer Res."},{"key":"2026090122212381000_cit10","doi-asserted-by":"publisher","first-page":"1699","DOI":"10.3390\/ijms18081699","article-title":"Prevention\nof gastric cancer: Eradication of Helicobacter pylori and beyond","volume":"18","author":"Tsukamoto","year":"2017","journal-title":"Int. J. Mol. Sci."},{"key":"2026090122212381000_cit11","first-page":"355","article-title":"Helicobacter\npylori eradication: are there alternatives to antibiotics?","volume":"6","author":"Gaby","year":"2001","journal-title":"Alternative Med. Rev."},{"key":"2026090122212381000_cit12","doi-asserted-by":"publisher","first-page":"697","DOI":"10.1016\/j.arcmed.2005.06.009","article-title":"Resistance\nto antibiotics: are we in the post-antibiotic era?","volume":"36","author":"Alanis","year":"2005","journal-title":"Arch. Med. Res."},{"key":"2026090122212381000_cit13","doi-asserted-by":"publisher","first-page":"151","DOI":"10.2147\/ceg.s25416","article-title":"Update on triple therapy for eradication\nof Helicobacter pylori: current status of the art","volume":"5","author":"Urgesi","year":"2012","journal-title":"Clin. Exp. Gastroenterol."},{"key":"2026090122212381000_cit14","doi-asserted-by":"publisher","first-page":"672","DOI":"10.1345\/aph.17247","article-title":"Ranitidine\nbismuth citrate in the treatment of Helicobacter pylori infection\nand duodenal ulcer","volume":"32","author":"Vondracek","year":"1998","journal-title":"Ann. Pharmacother."},{"key":"2026090122212381000_cit15","doi-asserted-by":"publisher","first-page":"671","DOI":"10.2217\/fmb-2017-0115","article-title":"Future perspective for potential Helicobacter pylori\neradication therapies","volume":"13","author":"Debraekeleer","year":"2018","journal-title":"Future Microbiol."},{"key":"2026090122212381000_cit16","doi-asserted-by":"publisher","first-page":"54","DOI":"10.1186\/preaccept-1712290149140143","article-title":"Antimicrobial activity\nof natural products against Helicobacter pylori: a review","volume":"13","author":"Bonifa\u0301cio","year":"2014","journal-title":"Ann. Clin. Microbiol. Antimicrob."},{"key":"2026090122212381000_cit17","first-page":"475","article-title":"Anti-Helicobacter\nPylori Activities of Compounds of Natural Origin","volume-title":"Bioactive Natural Products: Opportunities and Challenges in Medicinal\nChemistry","author":"Lawal","year":"2012"},{"key":"2026090122212381000_cit18","doi-asserted-by":"publisher","first-page":"535","DOI":"10.1099\/jmm.0.05499-0","article-title":"Helicobacter pylori: antibiotic resistance and eradication\nrates in Suffolk, UK, 1991-2001","volume":"53","author":"Cameron","year":"2004","journal-title":"J. Med. Microbiol."},{"key":"2026090122212381000_cit19","doi-asserted-by":"publisher","first-page":"1374","DOI":"10.1136\/gut.2003.022111","article-title":"H. pylori\nantibiotic resistance: prevalence, importance, and advances in testing","volume":"53","author":"Megraud","year":"2004","journal-title":"Gut"},{"key":"2026090122212381000_cit20","doi-asserted-by":"publisher","first-page":"81","DOI":"10.1016\/j.jab.2017.10.007","article-title":"Propolis: The future\ntherapy against Helicobacter pylori-mediated gastrointestinal diseases","volume":"16","author":"Shapla","year":"2018","journal-title":"J. Appl. Biomed."},{"key":"2026090122212381000_cit21","doi-asserted-by":"publisher","first-page":"f4587","DOI":"10.1136\/bmj.f4587","article-title":"Global eradication\nrates for Helicobacter pylori infection: systematic review and meta-analysis\nof sequential therapy","volume":"347","author":"Gatta","year":"2013","journal-title":"BMJ"},{"key":"2026090122212381000_cit22","doi-asserted-by":"publisher","first-page":"990","DOI":"10.1248\/bpb.21.990","article-title":"Anti-Helicobacter\npylori Activity of Herbal Medicines","volume":"21","author":"Bae","year":"1998","journal-title":"Biol. Pharm.\nBull."},{"key":"2026090122212381000_cit23","doi-asserted-by":"publisher","first-page":"442","DOI":"10.1055\/s-2006-960805","article-title":"In vitro anti-Helicobacter pylori activity of some\nflavonoids and their metabolites","volume":"65","author":"Bae","year":"1999","journal-title":"Planta Med."},{"key":"2026090122212381000_cit24","doi-asserted-by":"publisher","first-page":"809","DOI":"10.1016\/j.procbio.2004.02.018","article-title":"Phenolic antioxidants\nfrom clonal oregano (Origanum vulgare) with antimicrobial activity\nagainst Helicobacter pylori","volume":"40","author":"Chun","year":"2005","journal-title":"Process Biochem."},{"key":"2026090122212381000_cit25","doi-asserted-by":"publisher","first-page":"819","DOI":"10.1021\/np040188q","article-title":"Anti-Helicobacter pylori Compounds from Santalum album","volume":"68","author":"Ochi","year":"2005","journal-title":"J. Nat. Prod."},{"key":"2026090122212381000_cit26","doi-asserted-by":"publisher","first-page":"243","DOI":"10.1093\/jac\/dkh287","article-title":"In vitro anti-Helicobacter\npylori activity of Extractum liquiritiae, glycyrrhizin and its metabolites","volume":"54","author":"Krausse","year":"2004","journal-title":"J. Antimicrob. Chemother."},{"key":"2026090122212381000_cit27","doi-asserted-by":"publisher","first-page":"16","DOI":"10.1078\/0944-7113-00004","article-title":"Hepatoprotective and anti-Helicobacter\npylori activities of constituents from Brazilian propolis","volume":"8","author":"Banskota","year":"2001","journal-title":"Phytomedicine"},{"key":"2026090122212381000_cit28","doi-asserted-by":"publisher","first-page":"72","DOI":"10.1016\/j.jep.2007.07.022","article-title":"Anti-Helicobacter pylori\nactivity of anacardic acids from Amphipterygium adstringens","volume":"114","author":"Castillo-Jua\u0301rez","year":"2007","journal-title":"J. Ethnopharmacol."},{"key":"2026090122212381000_cit29","doi-asserted-by":"publisher","first-page":"172","DOI":"10.1248\/bpb.29.172","article-title":"Inhibition of Helicobacter pylori\nmotility by (+)-Syringaresinol from unripe Japanese apricot","volume":"29","author":"Miyazawa","year":"2006","journal-title":"Biol. Pharm. Bull."},{"key":"2026090122212381000_cit30","doi-asserted-by":"publisher","first-page":"870","DOI":"10.1111\/j.1745-7254.2008.00808.x","article-title":"Natural product juglone targets three\nkey enzymes from Helicobacter pylori: inhibition assay with crystal\nstructure characterization 1","volume":"29","author":"Kong","year":"2008","journal-title":"Acta Pharmacol.\nSin."},{"key":"2026090122212381000_cit31","doi-asserted-by":"publisher","first-page":"1449","DOI":"10.1016\/s0024-3205(02)01864-7","article-title":"Anti-Helicobacter pylori flavonoids from licorice extract","volume":"71","author":"Fukai","year":"2002","journal-title":"Life Sci."},{"key":"2026090122212381000_cit32","doi-asserted-by":"publisher","first-page":"699","DOI":"10.1021\/np020472m","article-title":"Sesquiterpene Lactones\nfrom Anthemis altissima and Their Anti-Helicobacter pylori Activity","volume":"66","author":"Konstantinopoulou","year":"2003","journal-title":"J. Nat. Prod."},{"key":"2026090122212381000_cit33","doi-asserted-by":"publisher","first-page":"964","DOI":"10.1016\/j.foodres.2011.02.017","article-title":"Anti-Helicobacter\npylori and urease inhibitory activities of resveratrol and red wine","volume":"44","author":"Paulo","year":"2011","journal-title":"Food Res. Int."},{"key":"2026090122212381000_cit34","doi-asserted-by":"publisher","first-page":"8971","DOI":"10.3748\/wjg.v20.i27.8971","article-title":"Natural products and food components with anti-Helicobacter\npylori activities","volume":"20","author":"Takeuchi","year":"2014","journal-title":"World J. Gastroenterol."},{"key":"2026090122212381000_cit35","doi-asserted-by":"publisher","first-page":"848","DOI":"10.1128\/aem.01595-08","article-title":"Antibacterial effects\nof grape extracts on Helicobacter pylori","volume":"75","author":"Brown","year":"2009","journal-title":"Appl.\nEnviron. Microbiol."},{"key":"2026090122212381000_cit36","doi-asserted-by":"publisher","first-page":"733","DOI":"10.1016\/j.dnarep.2012.06.006","article-title":"A histone-like protein of Helicobacter\npylori protects DNA from stress damage and aids host colonization","volume":"11","author":"Wang","year":"2012","journal-title":"DNA Repair"},{"key":"2026090122212381000_cit37","doi-asserted-by":"publisher","first-page":"285","DOI":"10.1002\/mrc.4701","article-title":"NMR Elucidation of Monomer-dimer\ntransition and Conformational heterogeneity in Histone-like DNA binding\nprotein of Helicobacter pylori (Hup)","volume":"56","author":"Jaiswal","year":"2018","journal-title":"Magn.\nReson. Chem."},{"key":"2026090122212381000_cit38","doi-asserted-by":"publisher","DOI":"10.1111\/hel.12381","article-title":"The histone-like protein HU has a role in gene expression\nduring the acid adaptation response in Helicobacter pylori","volume":"22","author":"A\u0301lvarez","year":"2017","journal-title":"Helicobacter"},{"key":"2026090122212381000_cit39","doi-asserted-by":"publisher","first-page":"6527","DOI":"10.1093\/emboj\/19.23.6527","article-title":"The histone-like protein HU binds specifically to DNA\nrecombination and repair intermediates","volume":"19","author":"Kamashev","year":"2000","journal-title":"EMBO\nJ."},{"key":"2026090122212381000_cit40","doi-asserted-by":"publisher","first-page":"7499","DOI":"10.3748\/wjg.v11.i47.7499","article-title":"Bactericidal and anti-adhesive properties\nof culinary and medicinal plants against Helicobacter pylori","volume":"11","author":"O\u2019Mahony","year":"2005","journal-title":"World J. Gastroenterol."},{"key":"2026090122212381000_cit41","doi-asserted-by":"publisher","first-page":"286","DOI":"10.1016\/j.jep.2008.11.001","article-title":"Bactericidal activity of medicinal plants, employed\nfor the treatment of gastrointestinal ailments, against Helicobacter\npylori","volume":"121","author":"Zaidi","year":"2009","journal-title":"J. Ethnopharmacol."},{"key":"2026090122212381000_cit42","doi-asserted-by":"publisher","first-page":"281","DOI":"10.1021\/acs.jctc.5b00864","article-title":"OPLS3: a force field\nproviding broad coverage of drug-like small molecules and proteins","volume":"12","author":"Harder","year":"2016","journal-title":"J. Chem. Theory Comput."},{"key":"2026090122212381000_cit43","doi-asserted-by":"publisher","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","article-title":"Protein and ligand preparation: parameters, protocols,\nand influence on virtual screening enrichments","volume":"27","author":"Sastry","year":"2013","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"2026090122212381000_cit44","doi-asserted-by":"publisher","first-page":"231","DOI":"10.1016\/j.ijbiomac.2020.06.039","article-title":"Exquisite binding interaction of\n18\u03b2-Glycyrrhetinic acid with histone like DNA binding protein\nof Helicobacter pylori: A computational and experimental study","volume":"161","author":"Raj","year":"2020","journal-title":"Int. J. Biol. Macromol."},{"key":"2026090122212381000_cit45","doi-asserted-by":"publisher","first-page":"W152","DOI":"10.1093\/nar\/gkl187","article-title":"(PS)2: Protein structure prediction\nserver","volume":"34","author":"Chen","year":"2006","journal-title":"Nucleic Acids Res."},{"key":"2026090122212381000_cit46","doi-asserted-by":"publisher","first-page":"366","DOI":"10.1186\/1471-2105-10-366","article-title":"(PS)2-v2: template-based protein\nstructure prediction server","volume":"10","author":"Chen","year":"2009","journal-title":"BMC Bioinf."},{"key":"2026090122212381000_cit47","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1016\/j.ejphar.2004.07.023","article-title":"Pharmacological effects of green tea on the gastrointestinal\nsystem","volume":"500","author":"Koo","year":"2004","journal-title":"Eur. J. Pharmacol."},{"key":"2026090122212381000_cit48","first-page":"533","article-title":"Anti-inflammatory\nand anti-oxidative effects of the green tea polyphenol epigallocatechin\ngallate in human corneal epithelial cells","volume":"17","author":"Cavet","year":"2011","journal-title":"Mol.\nVision"},{"key":"2026090122212381000_cit49","doi-asserted-by":"publisher","first-page":"382","DOI":"10.1021\/tx990003t","article-title":"Antioxidant\nChemistry of Green Tea Catechins. Identification of Products of the\nReaction of (\u2212)-Epigallocatechin Gallate with Peroxyl Radicals","volume":"12","author":"Valcic","year":"1999","journal-title":"Chem. Res. Toxicol."},{"key":"2026090122212381000_cit50","first-page":"725","volume-title":"Reading the Tea Leaves:\nAnticarcinogenic Properties of (\u2212)-Epigallocatechin-3-gallate","author":"Carlson","year":"2007"},{"key":"2026090122212381000_cit51","doi-asserted-by":"publisher","first-page":"405","DOI":"10.3892\/etm.2014.2135","article-title":"Cardioprotective effect\nof epigallocatechin-3-gallate against myocardial infarction in hypercholesterolemic\nrats","volume":"9","author":"Zhong","year":"2015","journal-title":"Exp. Ther. Med."},{"key":"2026090122212381000_cit52","doi-asserted-by":"publisher","first-page":"229","DOI":"10.1016\/s0049-3848(99)00104-8","article-title":"Antithrombotic Activities of Green\nTea Catechins and (\u2212)-Epigallocatechin Gallate","volume":"96","author":"Kang","year":"1999","journal-title":"Thromb. Res."},{"key":"2026090122212381000_cit53","doi-asserted-by":"publisher","first-page":"461","DOI":"10.1097\/00001813-199606000-00011","article-title":"Inhibitory\neffect of six green tea catechins and caffeine on the growth of four\nselected human tumor cell lines","volume":"7","author":"Valcic","year":"1996","journal-title":"Anti-Cancer\nDrugs"},{"key":"2026090122212381000_cit54","doi-asserted-by":"publisher","first-page":"4339","DOI":"10.1128\/aac.49.10.4339-4343.2005","article-title":"Epigallocatechin\ngallate inhibits biofilm formation by ocular staphylococcal isolates","volume":"49","author":"Blanco","year":"2005","journal-title":"Antimicrob. Agents Chemother."},{"key":"2026090122212381000_cit55","doi-asserted-by":"publisher","first-page":"497","DOI":"10.1586\/14787210.5.3.497","article-title":"Tea catechins as a potential alternative anti-infectious\nagent","volume":"5","author":"Song","year":"2007","journal-title":"Expert Rev. Anti-Infect. Ther."},{"key":"2026090122212381000_cit56","doi-asserted-by":"publisher","first-page":"1059","DOI":"10.1111\/bph.12009","article-title":"Anti-infective\nproperties of epigallocatechin-3-gallate (EGCG), a component of green\ntea","volume":"168","author":"Steinmann","year":"2013","journal-title":"Br. J. Pharmacol."},{"key":"2026090122212381000_cit57","doi-asserted-by":"publisher","first-page":"244","DOI":"10.1007\/s00284-002-3956-6","article-title":"A combination\neffect of epigallocatechin gallate, a major compound of green tea\ncatechins, with antibiotics on Helicobacter pylori growth in vitro","volume":"47","author":"Yamamoto","year":"2003","journal-title":"Curr. Microbiol."},{"key":"2026090122212381000_cit58","first-page":"2479","article-title":"The green tea polyphenol\nepigallocatechin-3-gallate effectively inhibits Helicobacter pylori-induced\ngastritis in Mongolian gerbils","volume":"9","author":"Jiang","year":"2016","journal-title":"Int. J. Clin.\nExp. Med."},{"key":"2026090122212381000_cit59","doi-asserted-by":"publisher","first-page":"3993","DOI":"10.1021\/jp312573y","article-title":"Molecular Mechanism\nof the Inhibition of EGCG on the Alzheimer A\u03b21-42 Dimer","volume":"117","author":"Zhang","year":"2013","journal-title":"J. Phys. Chem. B"},{"key":"2026090122212381000_cit60","doi-asserted-by":"publisher","first-page":"2788","DOI":"10.1007\/s11064-016-1995-9","article-title":"Epigallocatechin gallate (EGCG) inhibits alpha-synuclein aggregation:\na potential agent for Parkinson\u2019s disease","volume":"41","author":"Xu","year":"2016","journal-title":"Neurochem. Res."},{"key":"2026090122212381000_cit61","doi-asserted-by":"publisher","first-page":"17446","DOI":"10.1074\/jbc.m601196200","article-title":"DNA and RNA as new\nbinding targets of green tea catechins","volume":"281","author":"Kuzuhara","year":"2006","journal-title":"J. Biol.\nChem."},{"key":"2026090122212381000_cit62","doi-asserted-by":"crossref","unstructured":"Alexander, N.; Woetzel, N.; Meiler, J.\n          bcl:: Cluster:\nA method for clustering biological molecules coupled with visualization\nin the Pymol Molecular Graphics System.  2011\nIEEE 1st International Conference on Computational Advances in Bio\nand Medical Sciences (ICCABS); IEEE, 2011; pp 13\u201318.","DOI":"10.1109\/ICCABS.2011.5729867"},{"key":"2026090122212381000_cit63","doi-asserted-by":"publisher","first-page":"195","DOI":"10.1016\/j.ab.2009.08.013","article-title":"A fluorescence quenching\nassay to discriminate between specific and nonspecific inhibitors\nof dengue virus protease","volume":"395","author":"Bodenreider","year":"2009","journal-title":"Anal. Biochem."},{"key":"2026090122212381000_cit64","doi-asserted-by":"publisher","first-page":"895","DOI":"10.1002\/cphc.201701253","article-title":"Investigating Protein-Ligand\nInteractions by Solution Nuclear Magnetic Resonance Spectroscopy","volume":"19","author":"Becker","year":"2018","journal-title":"ChemPhysChem"},{"key":"2026090122212381000_cit65","doi-asserted-by":"publisher","first-page":"1934578X1984929","DOI":"10.1177\/1934578x19849296","article-title":"NMR Methods to Characterize Protein-Ligand\nInteractions","volume":"14","author":"Maity","year":"2019","journal-title":"Nat. Prod. Commun."},{"key":"2026090122212381000_cit66","doi-asserted-by":"publisher","first-page":"4235","DOI":"10.1039\/b310265c","article-title":"Exploring\nthe active site of human factor Xa protein by NMR screening of small\nmolecule probes","volume":"1","author":"Fielding","year":"2003","journal-title":"Org. Biomol. Chem."},{"key":"2026090122212381000_cit67","doi-asserted-by":"publisher","first-page":"463","DOI":"10.1002\/mrc.1574","article-title":"Determination of protein-ligand binding\naffinity by NMR: observations from serum albumin model systems","volume":"43","author":"Fielding","year":"2005","journal-title":"Magn. Reson. Chem."},{"key":"2026090122212381000_cit68","doi-asserted-by":"publisher","first-page":"219","DOI":"10.1016\/j.pnmrs.2007.04.001","article-title":"NMR methods\nfor the determination of protein-ligand dissociation constants","volume":"51","author":"Fielding","year":"2007","journal-title":"Prog. Nucl. Magn. Reson. Spectrosc."},{"key":"2026090122212381000_cit69","doi-asserted-by":"publisher","first-page":"148","DOI":"10.3390\/molecules23010148","article-title":"Current NMR techniques\nfor structure-based drug discovery","volume":"23","author":"Sugiki","year":"2018","journal-title":"Molecules"},{"key":"2026090122212381000_cit70","doi-asserted-by":"publisher","first-page":"1531","DOI":"10.1126\/science.274.5292.1531","article-title":"Discovering high-affinity\nligands for proteins: SAR by NMR","volume":"274","author":"Shuker","year":"1996","journal-title":"Science"},{"key":"2026090122212381000_cit71","doi-asserted-by":"publisher","first-page":"2315","DOI":"10.1021\/jm9901475","article-title":"High-throughput nuclear magnetic\nresonance-based screening","volume":"42","author":"Hajduk","year":"1999","journal-title":"J. Med. Chem."},{"key":"2026090122212381000_cit72","doi-asserted-by":"publisher","first-page":"82","DOI":"10.1016\/j.pnmrs.2016.09.001","article-title":"NMR in drug discovery: A practical guide to identification\nand validation of ligands interacting with biological macromolecules","volume":"97","author":"Gossert","year":"2016","journal-title":"Prog. Nucl. Magn. Reson. Spectrosc."},{"key":"2026090122212381000_cit73","volume-title":"Practical\nAspects of Fragment-Based Screening Experiments in TopSpin","author":"Baldisseri","year":"2018"},{"key":"2026090122212381000_cit74","doi-asserted-by":"publisher","first-page":"12257","DOI":"10.1021\/ja9715962","article-title":"One-Dimensional Relaxation- and Diffusion-Edited\nNMR Methods for Screening Compounds That Bind to Macromolecules","volume":"119","author":"Hajduk","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"2026090122212381000_cit75","doi-asserted-by":"publisher","first-page":"369","DOI":"10.1023\/a:1008324025406","article-title":"Estimating the time scale of chemical exchange of proteins\nfrom measurements of transverse relaxation rates in solution","volume":"14","author":"Ishima","year":"1999","journal-title":"J. Biomol. NMR"},{"key":"2026090122212381000_cit76","doi-asserted-by":"publisher","first-page":"641","DOI":"10.1007\/s10858-019-00276-y","article-title":"Revisiting 1H N CPMG relaxation dispersion\nexperiments: a simple modification can eliminate large artifacts","volume":"73","author":"Yuwen","year":"2019","journal-title":"J. Biomol. NMR"},{"key":"2026090122212381000_cit77","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0188037","article-title":"Comparison of histone-like HU protein DNA-binding properties\nand HU\/IHF protein sequence alignment","volume":"12","author":"Kamashev","year":"2017","journal-title":"PLoS\nOne"},{"key":"2026090122212381000_cit78","doi-asserted-by":"publisher","first-page":"159","DOI":"10.3389\/fcimb.2019.00159","article-title":"Nucleoid-associated protein HU: A\nlilliputian in gene regulation of bacterial virulence","volume":"9","author":"Stojkova","year":"2019","journal-title":"Front. Cell. Infect. Microbiol."},{"key":"2026090122212381000_cit79","doi-asserted-by":"publisher","first-page":"835","DOI":"10.1586\/eri.09.61","article-title":"Novel Helicobacter pylori therapeutic\ntargets: the unusual suspects","volume":"7","author":"Duckworth","year":"2009","journal-title":"Expert Rev. Anti-Infect.\nTher."},{"key":"2026090122212381000_cit80","doi-asserted-by":"publisher","first-page":"343","DOI":"10.1042\/bj20040938","article-title":"Substrate specificity of Helicobacter\npylori histone-like HU protein is determined by insufficient stabilization\nof DNA flexure points","volume":"383","author":"Chen","year":"2004","journal-title":"Biochem. J."},{"key":"2026090122212381000_cit81","unstructured":"PubChem.\n          . A database of chemical molecules and their activities\nagainst biological assays. 2020, https:\/\/pubchem.ncbi.nlm.nih.gov. Ref Type: Data File."},{"key":"2026090122212381000_cit82","doi-asserted-by":"publisher","first-page":"639","DOI":"10.1021\/ci700358r","article-title":"Computational validation\nof the importance of absolute stereochemistry in virtual screening","volume":"48","author":"Brooks","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"2026090122212381000_cit83","unstructured":"Schrodinger, LLC.\n          .  LigPrep and Ligand Interaction\nDiagram: Maestro Version 9.2: New York, NY, 2009."},{"key":"2026090122212381000_cit84","doi-asserted-by":"publisher","first-page":"551","DOI":"10.1007\/s00249-009-0531-0","article-title":"Homology modelling and spectroscopy,\na never-ending love story","volume":"39","author":"Venselaar","year":"2010","journal-title":"Eur. Biophys. J."},{"key":"2026090122212381000_cit85","doi-asserted-by":"publisher","first-page":"114","DOI":"10.1002\/prot.22570","article-title":"Improving physical\nrealism, stereochemistry, and side-chain accuracy in homology modeling:\nfour approaches that performed well in CASP8","volume":"77","author":"Krieger","year":"2009","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"2026090122212381000_cit86","doi-asserted-by":"publisher","first-page":"678","DOI":"10.1002\/prot.20251","article-title":"Making optimal use of empirical energy functions: force-field\nparameterization in crystal space","volume":"57","author":"Krieger","year":"2004","journal-title":"Proteins:\nStruct., Funct., Bioinf."},{"key":"2026090122212381000_cit87","doi-asserted-by":"publisher","first-page":"996","DOI":"10.1002\/jcc.23899","article-title":"New ways to boost molecular dynamics simulations","volume":"36","author":"Krieger","year":"2015","journal-title":"J. Comput. Chem."},{"key":"2026090122212381000_cit88","unstructured":"GraphPad One Site Binding (Hyperbola). 2020, https:\/\/www.graphpad.com\/guides\/prism\/7\/curvefitting\/reg_classic_hyperbola.htm."},{"key":"2026090122212381000_cit89","doi-asserted-by":"publisher","first-page":"887","DOI":"10.1002\/(sici)1097-458x(199611)34:11&lt;887::aid-omr995&gt;3.0.co;2-u","article-title":"1H and 13C\nNMR assignments of some green tea polyphenols","volume":"34","author":"Davis","year":"1996","journal-title":"Magn. Reson. Chem."},{"key":"2026090122212381000_cit90","doi-asserted-by":"publisher","first-page":"199","DOI":"10.1007\/s10858-005-4425-x","article-title":"SOFAST-HMQC experiments for recording\ntwo-dimensional deteronuclear correlation spectra of proteins within\na few seconds","volume":"33","author":"Schanda","year":"2005","journal-title":"J. Biomol. NMR"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.0c04763","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/6\/5\/3548\/67590559\/acsomega.0c04763.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/6\/5\/3548\/67590559\/acsomega.0c04763.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T02:21:37Z","timestamp":1788315697000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/acsodf\/article\/6\/5\/3548\/490733\/Epigallocatechin-Gallate-with-Potent-Anti"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,2,1]]},"references-count":90,"journal-issue":{"issue":"5","published-online":{"date-parts":[[2021,2,1]]},"published-print":{"date-parts":[[2021,2,9]]}},"URL":"https:\/\/doi.org\/10.1021\/acsomega.0c04763","relation":{},"ISSN":["2470-1343"],"issn-type":[{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,2,1]]}}}