Structural and molecular modelling studies reveal a new mechanism of action of chloroquine and hydroxychloroquine against SARS-CoV-2 infection

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"volume": "6", "year": "2006" }, { "DOI": "10.1080/15548627.2018.1474314", "article-title": "Chloroquine inhibits autophagic flux by decreasing autophagosome–lysosome fusion", "author": "Mauthe", "doi-asserted-by": "crossref", "first-page": "1435", "journal-title": "Autophagy", "key": "10.1016/j.ijantimicag.2020.105960_bib0006", "volume": "14", "year": "2018" }, { "DOI": "10.1186/1743-422X-2-69", "article-title": "Chloroquine is a potent inhibitor of SARS coronavirus infection and spread", "author": "Vincent", "doi-asserted-by": "crossref", "first-page": "69", "journal-title": "Virol J", "key": "10.1016/j.ijantimicag.2020.105960_bib0007", "volume": "2", "year": "2005" }, { "DOI": "10.1038/nature02145", "article-title": "Angiotensin-converting enzyme 2 is a functional receptor for the SARS coronavirus", "author": "Li", "doi-asserted-by": "crossref", "first-page": "450", "journal-title": "Nature", "key": "10.1016/j.ijantimicag.2020.105960_bib0008", "volume": "426", "year": "2003" }, { 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"author": "Park", "doi-asserted-by": "crossref", "first-page": "1151", "journal-title": "Nat Struct Mol Biol", "key": "10.1016/j.ijantimicag.2020.105960_bib0018", "volume": "26", "year": "2019" }, { "DOI": "10.1002/cmdc.201500494", "article-title": "The lysosomal protein saposin B binds chloroquine", "author": "Huta", "doi-asserted-by": "crossref", "first-page": "277", "journal-title": "Chem Med Chem", "key": "10.1016/j.ijantimicag.2020.105960_bib0019", "volume": "11", "year": "2016" }, { "DOI": "10.1371/journal.pone.0104751", "article-title": "Deciphering the glycolipid code of Alzheimer's and Parkinson's amyloid proteins allowed the creation of a universal ganglioside-binding peptide", "author": "Yahi", "doi-asserted-by": "crossref", "journal-title": "PLoS One", "key": "10.1016/j.ijantimicag.2020.105960_bib0020", "volume": "9", "year": "2014" }, { "DOI": "10.3390/v10110650", "article-title": "Host lipid rafts play a major role in binding and endocytosis of influenza A virus", 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"Hoffmann", "doi-asserted-by": "crossref", "journal-title": "Cell", "key": "10.1016/j.ijantimicag.2020.105960_bib0024", "year": "2020" }, { "DOI": "10.1073/pnas.1712592114", "article-title": "Identification of sialic acid-binding function for the Middle East respiratory syndrome coronavirus spike glycoprotein", "author": "Li", "doi-asserted-by": "crossref", "first-page": "E8508", "journal-title": "Proc Natl Acad Sci USA", "key": "10.1016/j.ijantimicag.2020.105960_bib0025", "volume": "114", "year": "2017" }, { "DOI": "10.1017/S1462399410001602", "article-title": "Molecular insights into amyloid regulation by membrane cholesterol and sphingolipids: common mechanisms in neurodegenerative diseases", "author": "Fantini", "doi-asserted-by": "crossref", "first-page": "e27", "journal-title": "Expert Rev Mol Med", "key": "10.1016/j.ijantimicag.2020.105960_bib0026", "volume": "12", "year": "2010" }, { "DOI": "10.1074/jbc.M111679200", "article-title": "Identification of a common sphingolipid-binding domain in Alzheimer, prion, and HIV-1 proteins", "author": "Mahfoud", "doi-asserted-by": "crossref", "first-page": "11292", "journal-title": "J Biol Chem", "key": "10.1016/j.ijantimicag.2020.105960_bib0027", "volume": "277", "year": "2002" }, { "DOI": "10.1021/bi060762s", "article-title": "Prediction of glycolipid-binding domains from the amino acid sequence of lipid raft-associated proteins: application to HpaA, a protein involved in the adhesion of Helicobacter pylori to gastrointestinal cells", "author": "Fantini", "doi-asserted-by": "crossref", "first-page": "10957", "journal-title": "Biochemistry", "key": "10.1016/j.ijantimicag.2020.105960_bib0028", "volume": "45", "year": "2006" }, { "author": "Fantini", "key": "10.1016/j.ijantimicag.2020.105960_bib0029", "series-title": "Brain lipids in synaptic function and neurological disease. Clues to innovative therapeutic strategies for brain disorders", "year": "2015" }, { "DOI": "10.1093/cid/ciaa237", "article-title": "In vitro antiviral activity and projection of optimized dosing design of hydroxychloroquine for the treatment of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)", "author": "Yao", "doi-asserted-by": "crossref", "journal-title": "Clin Infect Dis", "key": "10.1016/j.ijantimicag.2020.105960_bib0030", "year": "2020" } ], "reference-count": 30, "references-count": 30, "relation": {}, "resource": { "primary": { "URL": "https://linkinghub.elsevier.com/retrieve/pii/S0924857920301102" } }, "score": 1, "short-title": [], "source": "Crossref", "subject": [], "subtitle": [], "title": "Structural and molecular modelling studies reveal a new mechanism of action of chloroquine and hydroxychloroquine against SARS-CoV-2 infection", "type": "journal-article", "update-policy": "http://dx.doi.org/10.1016/elsevier_cm_policy", "volume": "55" }