{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,30]],"date-time":"2026-08-30T17:09:04Z","timestamp":1788109744913,"version":"build-2803163510"},"reference-count":65,"publisher":"Royal Society of Chemistry (RSC)","issue":"34","license":[{"start":{"date-parts":[[2024,8,7]],"date-time":"2024-08-07T00:00:00Z","timestamp":1722988800000},"content-version":"am","delay-in-days":584,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["CRG\/2020\/002091"],"award-info":[{"award-number":["CRG\/2020\/002091"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001501","name":"University Grants Commission","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001501","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Interactions between octameric SOD1 fibrils and polyphenols, curcumin and quercetin, observed through molecular dynamics simulations.<\/jats:p>","DOI":"10.1039\/d3cp02120c","type":"journal-article","created":{"date-parts":[[2023,8,7]],"date-time":"2023-08-07T13:21:20Z","timestamp":1691414480000},"page":"23081-23091","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Mechanism of the interaction of toxic SOD1 fibrils with two potent polyphenols: curcumin and quercetin"],"prefix":"10.1039","volume":"25","author":[{"given":"Shilpa","family":"Sharma","sequence":"first","affiliation":[{"name":"Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, 110016, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vijay Raj","family":"Tomar","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, 110016, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4908-8205","authenticated-orcid":false,"given":"Shashank","family":"Deep","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, 110016, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D3CP02120C\/cit1\/1","doi-asserted-by":"crossref","first-page":"371","DOI":"10.12688\/f1000research.10476.1","volume":"6","author":"Martin","year":"2017","journal-title":"F1000Res"},{"key":"D3CP02120C\/cit2\/1","doi-asserted-by":"crossref","first-page":"171","DOI":"10.4103\/2152-7806.169561","volume":"6","author":"Zarei","year":"2015","journal-title":"Surg. Neurol. Int."},{"key":"D3CP02120C\/cit3\/1","doi-asserted-by":"crossref","first-page":"1688","DOI":"10.1056\/NEJM200105313442207","volume":"344","author":"Rowland","year":"2001","journal-title":"N. Engl. J. Med."},{"key":"D3CP02120C\/cit4\/1","first-page":"49","volume":"6","author":"Alsultan","year":"2016","journal-title":"Degener. Neurol. Neuromuscular Dis."},{"key":"D3CP02120C\/cit5\/1","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1186\/1750-1326-8-28","volume":"8","author":"Chen","year":"2013","journal-title":"Mol. Neurodegener."},{"key":"D3CP02120C\/cit6\/1","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1212\/01.wnl.0000296811.19811.db","volume":"70","author":"Valdmanis","year":"2008","journal-title":"Neurology"},{"key":"D3CP02120C\/cit7\/1","doi-asserted-by":"crossref","first-page":"1709","DOI":"10.1016\/j.neurobiolaging.2012.10.027","volume":"34","author":"Tortelli","year":"2013","journal-title":"Neurobiol. Aging"},{"key":"D3CP02120C\/cit8\/1","first-page":"323261","author":"Furukawa","year":"2012","journal-title":"Neurol. Res. Int."},{"key":"D3CP02120C\/cit9\/1","doi-asserted-by":"crossref","first-page":"679","DOI":"10.1016\/j.bbadis.2014.08.010","volume":"1852","author":"Ajroud-Driss","year":"2015","journal-title":"Biochim. Biophys. Acta, Mol. Basis Dis."},{"key":"D3CP02120C\/cit10\/1","doi-asserted-by":"publisher","DOI":"10.3389\/fncel.2013.00253","volume":"7","author":"Rotunno","year":"2013","journal-title":"Front. Cell. Neurosci."},{"key":"D3CP02120C\/cit11\/1","volume-title":"Folding and aggregation of Cu, Zn-superoxide dismutase","author":"Broom","year":"2012","unstructured":"H. R.Broom ,  H. A.Primmer ,  J. A. O.Rumfeldt ,  P. B.Stathopulos ,  K. A.Vassall ,  Y.-M.Hwang  and  E. M.Meiering ,  Folding and aggregation of Cu, Zn-superoxide dismutase ,  InTech ,  2012"},{"key":"D3CP02120C\/cit12\/1","doi-asserted-by":"crossref","first-page":"1025","DOI":"10.1016\/j.bbadis.2006.05.004","volume":"1762","author":"Rakhit","year":"2006","journal-title":"Biochim. Biophys. Acta, Mol. Basis Dis."},{"key":"D3CP02120C\/cit13\/1","doi-asserted-by":"crossref","first-page":"6807","DOI":"10.3390\/ijms21186807","volume":"21","author":"Bernard","year":"2020","journal-title":"Int. J. Mol. Sci."},{"key":"D3CP02120C\/cit14\/1","doi-asserted-by":"crossref","first-page":"1345","DOI":"10.1002\/humu.22157","volume":"33","author":"Abel","year":"2012","journal-title":"Hum. Mutat."},{"key":"D3CP02120C\/cit15\/1","doi-asserted-by":"crossref","first-page":"e0247841","DOI":"10.1371\/journal.pone.0247841","volume":"16","author":"Pereira","year":"2021","journal-title":"PLoS One"},{"key":"D3CP02120C\/cit16\/1","doi-asserted-by":"crossref","first-page":"106665","DOI":"10.1016\/j.bpc.2021.106665","volume":"278","author":"Sharma","year":"2021","journal-title":"Biophys. Chem."},{"key":"D3CP02120C\/cit17\/1","doi-asserted-by":"crossref","first-page":"114","DOI":"10.2174\/1877946803666131213233336","volume":"4","author":"Deep","year":"2014","journal-title":"Curr. Phys. Chem."},{"key":"D3CP02120C\/cit18\/1","author":"Bhatia","unstructured":"N.Bhatia  and  S.Deep ,  Diagnostic tools for structural characterization and elucidation of fibrils and their precursors in amyloid fibril formation pathway , 2013, vol. 4"},{"key":"D3CP02120C\/cit19\/1","doi-asserted-by":"crossref","first-page":"1129","DOI":"10.1021\/acschemneuro.9b00677","volume":"11","author":"Bhatia","year":"2020","journal-title":"ACS Chem. Neurosci."},{"key":"D3CP02120C\/cit20\/1","doi-asserted-by":"crossref","first-page":"426","DOI":"10.1016\/j.bbapap.2015.01.014","volume":"1854","author":"Bhatia","year":"2015","journal-title":"iochim. Biophys. Acta, Proteins Proteomics"},{"key":"D3CP02120C\/cit21\/1","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1042\/BCJ20190705","volume":"477","author":"Zaidi","year":"2020","journal-title":"Biochem. J."},{"key":"D3CP02120C\/cit22\/1","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1021\/cn3001203","volume":"4","author":"Singh","year":"2013","journal-title":"ACS Chem. Neurosci."},{"key":"D3CP02120C\/cit23\/1","doi-asserted-by":"crossref","first-page":"742","DOI":"10.1002\/jnr.20025","volume":"75","author":"Ono","year":"2004","journal-title":"J. Neurosci. Res."},{"key":"D3CP02120C\/cit24\/1","doi-asserted-by":"crossref","first-page":"2872","DOI":"10.1016\/j.bbagen.2012.12.027","volume":"1830","author":"Zhu","year":"2013","journal-title":"Biochim. Biophys. Acta"},{"key":"D3CP02120C\/cit25\/1","doi-asserted-by":"crossref","first-page":"675","DOI":"10.1016\/j.bbrc.2011.10.135","volume":"415","author":"Wang","year":"2011","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"D3CP02120C\/cit26\/1","doi-asserted-by":"crossref","first-page":"6232","DOI":"10.1039\/D2CP05537F","volume":"25","author":"Sharma","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D3CP02120C\/cit27\/1","doi-asserted-by":"crossref","first-page":"e0127011","DOI":"10.1371\/journal.pone.0127011","volume":"10","author":"Srivastava","year":"2015","journal-title":"PLoS One"},{"key":"D3CP02120C\/cit28\/1","doi-asserted-by":"crossref","first-page":"8770","DOI":"10.1073\/pnas.1705091114","volume":"114","author":"Sangwan","year":"2017","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"D3CP02120C\/cit29\/1","doi-asserted-by":"crossref","first-page":"1231","DOI":"10.1002\/pro.3391","volume":"27","author":"Sangwan","year":"2018","journal-title":"Protein Sci."},{"key":"D3CP02120C\/cit30\/1","doi-asserted-by":"crossref","first-page":"3491","DOI":"10.1038\/s41467-022-31240-4","volume":"13","author":"Wang","year":"2022","journal-title":"Nat. Commun."},{"key":"D3CP02120C\/cit31\/1","doi-asserted-by":"crossref","first-page":"1399","DOI":"10.1080\/07391102.2014.951689","volume":"33","author":"Berhanu","year":"2015","journal-title":"J. Biomol. Struct. Dyn."},{"key":"D3CP02120C\/cit32\/1","doi-asserted-by":"crossref","first-page":"3183","DOI":"10.1080\/07391102.2018.1511475","volume":"37","author":"Saini","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"key":"D3CP02120C\/cit33\/1","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1007\/s42485-022-00094-1","volume":"13","author":"Gopal","year":"2022","journal-title":"J. Proteins Proteomics"},{"key":"D3CP02120C\/cit34\/1","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1021\/acs.jcim.9b00561","volume":"60","author":"Jakubowski","year":"2020","journal-title":"J. Chem. Inf. Model."},{"key":"D3CP02120C\/cit35\/1","doi-asserted-by":"crossref","first-page":"14471","DOI":"10.1039\/D3CP00340J","volume":"25","author":"Zhou","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D3CP02120C\/cit36\/1","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"D3CP02120C\/cit37\/1","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1186\/1758-2946-4-17","volume":"4","author":"Hanwell","year":"2012","journal-title":"J. Cheminf."},{"key":"D3CP02120C\/cit38\/1","doi-asserted-by":"crossref","first-page":"2778","DOI":"10.1021\/ci200227u","volume":"51","author":"Laskowski","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"D3CP02120C\/cit39\/1","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. Chem."},{"key":"D3CP02120C\/cit41\/1","doi-asserted-by":"crossref","first-page":"3696","DOI":"10.1021\/acs.jctc.5b00255","volume":"11","author":"Maier","year":"2015","journal-title":"J. Chem. Theory Comput."},{"key":"D3CP02120C\/cit42\/1","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1007\/s00894-018-3911-5","volume":"25","author":"Tr\u00e4g","year":"2019","journal-title":"J. Mol. Model."},{"key":"D3CP02120C\/cit43\/1","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang","year":"2004","journal-title":"J. Comput. Chem."},{"key":"D3CP02120C\/cit44\/1","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"D3CP02120C\/cit45\/1","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1002\/jcc.26798","volume":"43","author":"Gomez","year":"2022","journal-title":"J. Comput. Chem."},{"key":"D3CP02120C\/cit46\/1","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J. Comput. Phys."},{"key":"D3CP02120C\/cit47\/1","doi-asserted-by":"crossref","first-page":"3668","DOI":"10.1063\/1.470043","volume":"103","author":"Petersen","year":"1995","journal-title":"J. Chem. Phys."},{"key":"D3CP02120C\/cit48\/1","doi-asserted-by":"crossref","first-page":"15458","DOI":"10.1074\/jbc.273.25.15458","volume":"273","author":"McGaughey","year":"1998","journal-title":"J. Biol. Chem."},{"issue":"229","key":"D3CP02120C\/cit49\/1","first-page":"23","volume":"1985","author":"Burley","year":"1979","journal-title":"Science"},{"key":"D3CP02120C\/cit50\/1","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1021\/ci500020m","volume":"54","author":"Kumari","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"D3CP02120C\/cit51\/1","doi-asserted-by":"crossref","first-page":"2018","DOI":"10.1016\/j.freeradbiomed.2004.08.026","volume":"37","author":"Zhang","year":"2004","journal-title":"Free Radical Biol. Med."},{"key":"D3CP02120C\/cit52\/1","doi-asserted-by":"crossref","first-page":"12571","DOI":"10.1073\/pnas.220417997","volume":"97","author":"Johnston","year":"2000","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"D3CP02120C\/cit53\/1","doi-asserted-by":"crossref","first-page":"16398","DOI":"10.1073\/pnas.1102645108","volume":"108","author":"Grad","year":"2011","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"D3CP02120C\/cit54\/1","doi-asserted-by":"crossref","first-page":"e0227655","DOI":"10.1371\/journal.pone.0227655","volume":"15","author":"Crown","year":"2020","journal-title":"PLoS One"},{"key":"D3CP02120C\/cit55\/1","doi-asserted-by":"crossref","first-page":"3936","DOI":"10.1080\/07391102.2018.1531787","volume":"37","author":"Manjula","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"key":"D3CP02120C\/cit56\/1","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1016\/j.nbd.2018.11.025","volume":"124","author":"DuVal","year":"2019","journal-title":"Neurobiol. Dis."},{"key":"D3CP02120C\/cit57\/1","doi-asserted-by":"crossref","first-page":"7231","DOI":"10.1021\/acs.langmuir.2c03259","volume":"39","author":"Maity","year":"2023","journal-title":"Langmuir"},{"key":"D3CP02120C\/cit58\/1","author":"Valerie Winkler","unstructured":"B. H.Valerie Winkler , Impulse (Sydney)"},{"key":"D3CP02120C\/cit59\/1","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1016\/j.jare.2021.05.007","volume":"36","author":"Low","year":"2022","journal-title":"J. Adv. Res."},{"key":"D3CP02120C\/cit60\/1","doi-asserted-by":"crossref","first-page":"1113","DOI":"10.1016\/j.febslet.2011.03.046","volume":"585","author":"Caruana","year":"2011","journal-title":"FEBS Lett."},{"key":"D3CP02120C\/cit61\/1","doi-asserted-by":"crossref","first-page":"17121","DOI":"10.3390\/ijms131217121","volume":"13","author":"Sgarbossa","year":"2012","journal-title":"Int. J. Mol. Sci."},{"key":"D3CP02120C\/cit62\/1","doi-asserted-by":"crossref","first-page":"5892","DOI":"10.1074\/jbc.M404751200","volume":"280","author":"Yang","year":"2005","journal-title":"J. Biol. Chem."},{"key":"D3CP02120C\/cit63\/1","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1046\/j.1471-4159.2003.01976.x","volume":"87","author":"Ono","year":"2003","journal-title":"J. Neurochem."},{"key":"D3CP02120C\/cit64\/1","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1016\/j.bbadis.2004.06.008","volume":"1690","author":"Ono","year":"2004","journal-title":"Biochim. Biophys. Acta, Mol. Basis Dis."},{"key":"D3CP02120C\/cit65\/1","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1111\/j.1471-4159.2006.03707.x","volume":"97","author":"Ono","year":"2006","journal-title":"J. Neurochem."},{"key":"D3CP02120C\/cit66\/1","doi-asserted-by":"crossref","first-page":"955","DOI":"10.4103\/1673-5374.233432","volume":"13","author":"Freyssin","year":"2018","journal-title":"Neural Regen. Res."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D3CP02120C","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T17:54:21Z","timestamp":1782928461000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/25\/34\/23081-23091\/801496"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":65,"journal-issue":{"issue":"34","published-print":{"date-parts":[[2023,8,30]]}},"URL":"https:\/\/doi.org\/10.1039\/d3cp02120c","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023]]}}}