{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,14]],"date-time":"2026-11-14T02:37:17Z","timestamp":1794623837123,"version":"4.9.1"},"reference-count":93,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2023,10,1]],"date-time":"2023-10-01T00:00:00Z","timestamp":1696118400000},"content-version":"vor","delay-in-days":304,"URL":"http:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"CAPES","doi-asserted-by":"publisher","award":["88887.506989\/2020-00"],"award-info":[{"award-number":["88887.506989\/2020-00"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"Funda\u00e7\u00e3o Carlos Chagas Filho de Amparo \u00e0 Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["E-26\/201.067\/2021"],"award-info":[{"award-number":["E-26\/201.067\/2021"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"Funda\u00e7\u00e3o Carlos Chagas Filho de Amparo \u00e0 Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["E-26\/210.182\/2020"],"award-info":[{"award-number":["E-26\/210.182\/2020"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"Funda\u00e7\u00e3o Carlos Chagas Filho de Amparo \u00e0 Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["E-26\/210.112\/2020"],"award-info":[{"award-number":["E-26\/210.112\/2020"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100018350","name":"Institute of Coding","doi-asserted-by":"publisher","award":["VPPCB-005-FIO-20"],"award-info":[{"award-number":["VPPCB-005-FIO-20"]}],"id":[{"id":"10.13039\/100018350","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006507","name":"Funda\u00e7\u00e3o Oswaldo Cruz","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006507","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["International Journal of Biological Macromolecules"],"published-print":{"date-parts":[[2022,12]]},"DOI":"10.1016\/j.ijbiomac.2022.09.204","type":"journal-article","created":{"date-parts":[[2022,9,29]],"date-time":"2022-09-29T13:21:44Z","timestamp":1664457704000},"page":"1015-1026","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":38,"special_numbering":"PA","title":["Agathisflavone, a natural biflavonoid that inhibits SARS-CoV-2 replication by targeting its proteases"],"prefix":"10.1016","volume":"222","author":[{"given":"Ot\u00e1vio Augusto","family":"Chaves","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carlyle Ribeiro","family":"Lima","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Natalia","family":"Fintelman-Rodrigues","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carolina Q.","family":"Sacramento","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Caroline S.","family":"de Freitas","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Leonardo","family":"Vazquez","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jairo R.","family":"Temerozo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marco E.N.","family":"Rocha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Suelen S.G.","family":"Dias","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicolas","family":"Carels","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Patr\u00edcia T.","family":"Bozza","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hugo Caire","family":"Castro-Faria-Neto","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thiago Moreno L.","family":"Souza","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0005","first-page":"1","article-title":"The origin, transmission and clinical therapies on coronavirus disease 2019 (COVID-19) outbreak- An update on the status","volume":"7","author":"Guo","year":"2020","journal-title":"Mil. Med. Res."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0015","series-title":"COVID-19 Dashboardby the Center for Systems Science and Engineering (CSSE) at Johns Hopkins University (JHU)","year":"2022"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0020","article-title":"Genomic characterization of a novel SARS-CoV-2","volume":"19","author":"Khailany","year":"2020","journal-title":"Gene Rep."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0025","doi-asserted-by":"crossref","first-page":"3099","DOI":"10.3390\/ijms21093099","article-title":"Structural and evolutionary analysis indicate that the SARS-CoV-2 Mpro is a challenging target for small-molecule inhibitor design","volume":"21","author":"Bz\u00f3wka","year":"2020","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0030","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1038\/s41586-020-2223-y","article-title":"Structure of Mpro from COVID-19 virus and discovery of its inhibitors","volume":"582","author":"Jin","year":"2020","journal-title":"Nature"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0035","doi-asserted-by":"crossref","DOI":"10.15252\/embj.2020106275","article-title":"Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2","volume":"39","author":"Klemm","year":"2020","journal-title":"EMBO J."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0040","doi-asserted-by":"crossref","first-page":"2099","DOI":"10.1021\/acsinfecdis.0c00168","article-title":"Characterization and noncovalent inhibition of the deubiquitinase and deISGylase activity of SARS-CoV-2 papain-like protease","volume":"6","author":"Freitas","year":"2020","journal-title":"ACS Infect. Dis."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0045","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1016\/j.antiviral.2014.12.015","article-title":"The SARS-coronavirus papain-like protease: structure, function and inhibition by designed antiviral compounds","volume":"115","author":"B\u00e1ez-Santos","year":"2015","journal-title":"Antivir. Res."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0050","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1016\/j.jgg.2020.02.001","article-title":"Potential inhibitors for 2019-nCoV coronavirus M protease from clinically approved medicines","volume":"47","author":"Liu","year":"2020","journal-title":"J. Genet. Genomics"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0055","doi-asserted-by":"crossref","first-page":"698","DOI":"10.1590\/1519-6984.238155","article-title":"Fighting COVID-19","volume":"80","author":"Campos","year":"2020","journal-title":"Braz. J. Biol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0060","doi-asserted-by":"crossref","DOI":"10.1128\/AAC.00825-20","article-title":"Atazanavir, alone or in combination with ritonavir, inhibits SARS-CoV-2 replication and proinflammatory cytokine production","volume":"64","author":"Fintelman-Rodrigues","year":"2020","journal-title":"Antimicrob. Agents Chemother."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0065","doi-asserted-by":"crossref","first-page":"21","DOI":"10.3390\/ph15010021","article-title":"Atazanavir is a competitive inhibitor of SARS-CoV-2 Mpro, impairing variants replication in vitro and in vivo","volume":"15","author":"Chaves","year":"2021","journal-title":"Pharmaceuticals"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0070","series-title":"Pfizer's Novel COVID-19 Oral Antiviral Treatment Candidate Reduced Risk of Hospitalization or Death by 89% in Interim Analysis of Phase 2\/3 Epic-HR Study","year":"2022"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0075","doi-asserted-by":"crossref","DOI":"10.3389\/fphy.2020.574514","article-title":"Conditions for a second wave of COVID-19 due to interactions between disease dynamics and social processes","volume":"8","author":"Pedro","year":"2020","journal-title":"Front. Phys."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0080","doi-asserted-by":"crossref","DOI":"10.1016\/j.scitotenv.2020.138861","article-title":"COVID-19: disease, management, treatment, and social impact","volume":"728","author":"Ali","year":"2020","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0085","doi-asserted-by":"crossref","first-page":"626","DOI":"10.1038\/s41577-021-00592-1","article-title":"Progress of the COVID-19 vaccine effort: viruses, vaccines and variants versus efficacy, effectiveness and escape","volume":"21","author":"Tregoning","year":"2021","journal-title":"Nat. Rev. Immunol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0090","first-page":"E63","article-title":"Repurposing drugs for treatment of COVID-19","volume":"9","author":"Venkatesan","year":"2021","journal-title":"Lancet"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0095","doi-asserted-by":"crossref","first-page":"286","DOI":"10.2174\/1381612822666151112152733","article-title":"Antiviral natural products against chronic hepatitis B: recent developments","volume":"22","author":"Parvez","year":"2016","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0100","doi-asserted-by":"crossref","first-page":"6265","DOI":"10.1080\/07391102.2020.1796799","article-title":"In-silico approach for identification of effective and stable inhibitors for COVID-19 main protease (Mpro) from flavonoid based phytochemical constituents of Calendula officinalis","volume":"39","author":"Das","year":"2021","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0105","doi-asserted-by":"crossref","first-page":"1458","DOI":"10.3390\/v14071458","article-title":"Commercially available flavonols are better SARS-CoV-2 inhibitors than isoflavone and flavones","volume":"14","author":"Chaves","year":"2022","journal-title":"Viruses"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0110","doi-asserted-by":"crossref","first-page":"504","DOI":"10.1080\/14756366.2016.1265519","article-title":"Evaluation of polyphenols from Broussonetia papyrifera as coronavirus protease inhibitors","volume":"32","author":"Park","year":"2017","journal-title":"J. Enzym. Inhib. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0115","doi-asserted-by":"crossref","first-page":"3980","DOI":"10.3390\/molecules25173980","article-title":"Natural flavonoids as potential angiotensin-converting enzyme 2 inhibitors for anti-SARS-CoV-2","volume":"25","author":"Muchtaridi","year":"2020","journal-title":"Molecules"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0120","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejphar.2020.173448","article-title":"In silico pharmacokinetic and molecular docking studies of natural flavonoids and synthetic indole chalcones against essential proteins of SARS-CoV-2","volume":"886","author":"Vijayakumar","year":"2020","journal-title":"Eur. J. Pharmacol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0125","doi-asserted-by":"crossref","first-page":"1230","DOI":"10.1080\/07391102.2020.1823887","article-title":"The potential role of procyanidin as a therapeutic agent against SARS-CoV-2: a text mining, molecular docking and molecular dynamics simulation approach","volume":"40","author":"Maroli","year":"2022","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0130","doi-asserted-by":"crossref","first-page":"908","DOI":"10.1002\/ptr.6843","article-title":"Aframomum melegueta secondary metabolites exhibit polypharmacology against SARS-CoV-2 drug targets: in vitro validation of furin inhibition","volume":"35","author":"Omotuyi","year":"2021","journal-title":"Phytother. Res."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0135","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1016\/j.antiviral.2014.12.015","article-title":"The SARS-coronavirus papain-like protease: structure, function and inhibition by designed antiviral compounds","volume":"115","author":"B\u00e1ez-Santos","year":"2015","journal-title":"Antivir. Res."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0140","doi-asserted-by":"crossref","first-page":"831","DOI":"10.1007\/s10529-011-0845-8","article-title":"Flavonoid mediated inhibition of SARS coronavirus 3C-like protease expressed in Pichia pastoris","volume":"34","author":"Nguyen","year":"2012","journal-title":"Biotechnol. Lett."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0145","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1080\/14756366.2019.1690480","article-title":"Inhibition of SARS-CoV 3CL protease by flavonoids","volume":"35","author":"Jo","year":"2020","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0150","doi-asserted-by":"crossref","DOI":"10.1590\/0074-02760200207","article-title":"Flavonoid glycosides and their putative human metabolites as potential inhibitors of the SARS-CoV-2 main protease (Mpro) and RNA-dependent RNA polymerase (RdRp)","volume":"115","author":"da Silva","year":"2020","journal-title":"Mem. Inst. Oswaldo Cruz"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0155","doi-asserted-by":"crossref","first-page":"1381","DOI":"10.3390\/plants11101381","article-title":"Biflavonoids: important contributions to the health benefits of ginkgo (Ginkgo biloba L.)","volume":"11","author":"\u0160amec","year":"2022","journal-title":"Plants"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0160","doi-asserted-by":"crossref","first-page":"6088","DOI":"10.3390\/molecules26196088","article-title":"Proceedings of chemistry, pharmacology, pharmacokinetics and synthesis of a\u00fadeiaoids","volume":"26","author":"He","year":"2021","journal-title":"Molecules"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0165","doi-asserted-by":"crossref","first-page":"7940","DOI":"10.1016\/j.bmc.2010.09.035","article-title":"Biflavonoids from Torreya nucifera displaying SARS-CoV 3CL(pro) inhibition","volume":"18","author":"Ryu","year":"2010","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0170","article-title":"Biflavonoid as potential 3-chymotrypsin-like protease (3Clpro) inhibitor of SARS-coronavirus","volume":"3","author":"Hartini","year":"2021","journal-title":"Res. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0175","doi-asserted-by":"crossref","DOI":"10.1016\/j.cyto.2020.155151","article-title":"COVID19 cytokine storm: the anger of inflammation","volume":"133","author":"Mahmudpour","year":"2020","journal-title":"Cytokine"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0180","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1039\/c0fo00103a","article-title":"Anti-inflammatory activity of natural dietary flavonoids","volume":"1","author":"Pan","year":"2010","journal-title":"Food Funct."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0185","doi-asserted-by":"crossref","first-page":"999","DOI":"10.1021\/acs.jnatprod.6b01011","article-title":"Anti-inflammatory activity of natural geranylated flavonoids: Cyclooxygenase and lipoxygenase inhibitory properties and proteomic analysis","volume":"80","author":"Hanakova","year":"2017","journal-title":"J. Nat. Prod."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0190","doi-asserted-by":"crossref","first-page":"2901","DOI":"10.3390\/molecules27092901","article-title":"Flavonoids as potential anti-inflammatory molecules: a review","volume":"27","author":"Al-Khayri","year":"2022","journal-title":"Molecules"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0195","doi-asserted-by":"crossref","first-page":"35","DOI":"10.3390\/antiox8020035","article-title":"Potential role of flavonoids in treating chronic inflammatory diseases with a special focus on the anti-inflammatory activity of apigenin","volume":"8","author":"Ginwala","year":"2019","journal-title":"Antioxidants"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0200","series-title":"Anti-inflammatory Effects of Flavonoids","first-page":"125124","volume":"299","author":"Maleki","year":"2019"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0205","article-title":"Flavonoid apigenin inhibits lipopolysaccharide-induced inflammatory response through multiple mechanisms in macrophages","volume":"9","author":"Zhang","year":"2014","journal-title":"PloS One"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0210","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1007\/s11101-021-09759-z","article-title":"Flavonoids are promising safe therapy against COVID-19","volume":"21","author":"Alzaabi","year":"2022","journal-title":"Phytochem. Rev."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0215","doi-asserted-by":"crossref","first-page":"1192","DOI":"10.1002\/iub.2053","article-title":"Agathisflavone: botanical sources, therapeutic promises, and molecular docking study","volume":"71","author":"Islam","year":"2019","journal-title":"IUBMB Life"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0220","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1186\/s13065-018-0443-0","article-title":"In vitro antioxidant properties of the bifavonoid agathisfavone","volume":"12","author":"Andrade","year":"2018","journal-title":"Chem. Cent.J."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0225","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2022.858190","article-title":"Agathisflavone as a single therapy or in association with mesenchymal stem cells improves tissue repair in a spinal cord injury model in rats","volume":"13","author":"do Nascimento","year":"2022","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0230","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1590\/S0103-50532005000800017","article-title":"Biflavonoids and other phenolics from Caesalpinia pyramidalis (Fabaceae)","volume":"16","author":"Bahia","year":"2005","journal-title":"J. Braz. Chem. Soc."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0235","doi-asserted-by":"crossref","first-page":"111","DOI":"10.2174\/1568026620666191219150738","article-title":"Agathisflavone, a biflavonoid from Anacardium occidentale L., inhibits influenza virus neuraminidase","volume":"20","author":"de Freitas","year":"2019","journal-title":"Curr. Top. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0240","series-title":"Secretaria de Sa\u00fade do Estado de Pernambuco. Cartilha de Plantas Medicinais e Medicamentos Fitoter\u00e1picos","year":"2022"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0245","doi-asserted-by":"crossref","first-page":"1957","DOI":"10.1002\/ptr.6122","article-title":"Agathisflavone isolated from Anacardium occidentale suppresses SIRT1-mediated neuroinflammation in BV2 microglia and neurotoxicity in APPSwe-transfected SH-SY5Y cells","volume":"32","author":"Velagapudi","year":"2018","journal-title":"Phyther. Res."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0250","doi-asserted-by":"crossref","first-page":"1192","DOI":"10.1002\/iub.2053","article-title":"Agathisflavone: botanical sources, therapeutic promises, and molecular docking study","volume":"71","author":"Islam","year":"2019","journal-title":"IUBMB Life"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0255","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1038\/s41420-021-00428-w","article-title":"SARS-CoV-2 engages inflammasome and pyroptosis in human primary monocytes","volume":"7","author":"Ferreira","year":"2021","journal-title":"Cell Death Discov."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0260","article-title":"Practical guidelines for collection, manipulation and inactivation of SARS-CoV-2 and COVID-19 clinical specimens","volume":"93","author":"Bain","year":"2020","journal-title":"Curr. Protoc. Cytom."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0265","doi-asserted-by":"crossref","first-page":"3640","DOI":"10.1038\/s41598-021-83229-6","article-title":"Identifcation of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2","volume":"11","author":"Weglarz-Tomczak","year":"2021","journal-title":"Sci. Rep."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0270","doi-asserted-by":"crossref","first-page":"730","DOI":"10.1002\/cbic.202000047","article-title":"Learning from the past: possible urgent prevention and treatment options for severe acute respiratory infections caused by 2019-nCoV","volume":"21","author":"Liu","year":"2020","journal-title":"Chembiochem"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0275","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1126\/science.abb3405","article-title":"Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved \u03b1-ketoamide inhibitors","volume":"368","author":"Zhang","year":"2020","journal-title":"Science"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0280","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/j.ab.2003.12.018","article-title":"Determination of accurate KI values for tight-binding enzyme inhibitors: an in silico study of experimental error and assay design","volume":"327","author":"Murphy","year":"2004","journal-title":"Anal. Biochem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0285","doi-asserted-by":"crossref","DOI":"10.1016\/j.biopha.2021.111664","article-title":"Accurate quantitative determination of affinity and binding kinetics for tight binding inhibition of xanthine oxidase","volume":"139","author":"Yang","year":"2021","journal-title":"Biomed.Pharmacother."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0290","doi-asserted-by":"crossref","first-page":"980","DOI":"10.1038\/nsb1203-980","article-title":"Announcing the worldwide protein data bank","volume":"10","author":"Berman","year":"2003","journal-title":"Nat. Struct. Mol. Biol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0295","doi-asserted-by":"crossref","first-page":"1132","DOI":"10.1002\/jcc.23905","article-title":"DOCK 6: impact of new features and current docking performance","volume":"36","author":"Allen","year":"2015","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0300","doi-asserted-by":"crossref","first-page":"722","DOI":"10.1021\/jm00399a006","article-title":"Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure","volume":"31","author":"DesJarlais","year":"1988","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0305","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1002\/jcc.540130412","article-title":"Automated docking with grid-based energy evaluation","volume":"13","author":"Meng","year":"1992","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0310","doi-asserted-by":"crossref","first-page":"1425","DOI":"10.1002\/prot.26164","article-title":"Repurposing of FDA-approved drugs against active site and potential allosteric drug-binding sites of COVID-19 main protease","volume":"89","author":"Yuce","year":"2021","journal-title":"Proteins: Struct. Funct. Bioinf."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0315","doi-asserted-by":"crossref","first-page":"642","DOI":"10.1126\/science.abf7945","article-title":"X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease","volume":"372","author":"G\u00fcnther","year":"2021","journal-title":"Science"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0320","doi-asserted-by":"crossref","first-page":"3495","DOI":"10.1021\/acs.jcim.1c00140","article-title":"Elucidation of cryptic and allosteric pockets within the SARS-CoV-2 main protease","volume":"61","author":"Sztain","year":"2021","journal-title":"J. Chem. Inform. Model."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0325","doi-asserted-by":"crossref","first-page":"1986","DOI":"10.1021\/ci1001982","article-title":"Docking validation resources: protein family and ligand flexibility experiments","volume":"50","author":"Mukherjee","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0330","doi-asserted-by":"crossref","first-page":"1668","DOI":"10.1002\/jcc.20290","article-title":"The Amber biomolecular simulation programs","volume":"26","author":"Case","year":"2005","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0335","doi-asserted-by":"crossref","first-page":"517","DOI":"10.1126\/science.1208351","article-title":"How fast-folding proteins fold","volume":"334","author":"Lindorff-Larsen","year":"2011","journal-title":"Science"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0340","doi-asserted-by":"crossref","first-page":"1950","DOI":"10.1002\/prot.22711","article-title":"Improved side-chain torsion potentials for the Amber ff99SB protein force field","volume":"78","author":"Lindorff-Larsen","year":"2010","journal-title":"Prot. Struct. Funct. Bioinf."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0345","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","article-title":"Development and testing of a general amber force field","volume":"25","author":"Wang","year":"2004","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0350","series-title":"AMBER 2018","volume":"810","author":"Case","year":"2018"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0355","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0360","doi-asserted-by":"crossref","first-page":"819","DOI":"10.1002\/jcc.10216","article-title":"Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking","volume":"24","author":"Mart\u00ednez","year":"2003","journal-title":"J. Comp. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0365","doi-asserted-by":"crossref","first-page":"3081","DOI":"10.1021\/acs.jcim.9b01137","article-title":"Overcoming the heuristic nature of k-means clustering: identification and characterization of binding modes from simulations of molecular recognition complexes","volume":"60","author":"Bremer","year":"2020","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0370","doi-asserted-by":"crossref","DOI":"10.1063\/1.2714539","article-title":"Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states","volume":"126","author":"No\u00e9","year":"2007","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0375","article-title":"Density-based cluster algorithms for the identification of core sets","volume":"145","author":"Lemke","year":"2016","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0380","series-title":"Drugs","year":"2022"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0390","doi-asserted-by":"crossref","first-page":"1874","DOI":"10.1093\/jac\/dkab072","article-title":"In vitro antiviral activity of the anti-HCV drugs daclatasvir and sofosbuvir against SARS-CoV-2, the aetiological agent of COVID-19","volume":"76","author":"Sacramento","year":"2021","journal-title":"J. Antimicrob. Chemother."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0395","article-title":"Biflavonoids from Rhus succedanea as probable natural inhibitors against SARSCoV-2: a molecular docking and molecular dynamics approach","volume":"1\u201313","author":"Lokhande","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0400","doi-asserted-by":"crossref","first-page":"374","DOI":"10.3390\/v14020374","article-title":"Unlike chloroquine, mefloquine inhibits SARS-CoV-2 infection in physiologically relevant cells","volume":"14","author":"Sacramento","year":"2022","journal-title":"Viruses"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0405","doi-asserted-by":"crossref","first-page":"1017","DOI":"10.3390\/molecules25041017","article-title":"Potential therapeutic anti-inflammatory and immunomodulatory effects of dihydroflavones, flavones, and flavonols","volume":"25","author":"Zaragoz\u00e1","year":"2020","journal-title":"Molecules"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0410","doi-asserted-by":"crossref","first-page":"773","DOI":"10.1007\/s11101-020-09720-6","article-title":"Flavonoids: a complementary approach to conventional therapy of COVID-19?","volume":"20","author":"Solnier","year":"2021","journal-title":"Phytochem. Rev."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0415","doi-asserted-by":"crossref","first-page":"2807","DOI":"10.2147\/IJGM.S318949","article-title":"Potential clinical benefits of quercetin in the early stage of COVID-19: results of a second, pilot, randomized, controlled and open-label clinical trial","volume":"14","author":"di Pierro","year":"2021","journal-title":"Int. J. Gen. Med."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0420","doi-asserted-by":"crossref","first-page":"1451","DOI":"10.3389\/fimmu.2020.01451","article-title":"Quercetin and vitamin C: an experimental, synergistic therapy for the prevention and treatment of SARS-CoV-2 related disease (COVID-19)","volume":"11","author":"Biancatelli","year":"2020","journal-title":"Front. Immunol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0425","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2021.669642","article-title":"Myricetin inhibits SARS-CoV-2 viral replication by targeting mpro and ameliorates pulmonary inflammation","volume":"12","author":"Xiao","year":"2021","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0430","doi-asserted-by":"crossref","first-page":"11069","DOI":"10.3390\/ijms222011069","article-title":"Promising antiviral activities of natural flavonoids against SARS-CoV-2 targets: systematic review","volume":"22","author":"Kaul","year":"2021","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0435","doi-asserted-by":"crossref","first-page":"3202","DOI":"10.1038\/s41467-020-16954-7","article-title":"Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography","volume":"11","author":"Kneller","year":"2020","journal-title":"Nat.Commun."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0440","doi-asserted-by":"crossref","first-page":"1331","DOI":"10.1126\/science.abb4489","article-title":"Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease","volume":"368","author":"Dai","year":"2020","journal-title":"Science"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0445","doi-asserted-by":"crossref","first-page":"1374","DOI":"10.1126\/science.abf1611","article-title":"SARS-CoV-2 mpro inhibitors with antiviral activity in a transgenic mouse model","volume":"371","author":"Qiao","year":"2021","journal-title":"Science"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0450","doi-asserted-by":"crossref","DOI":"10.1126\/sciadv.abd4596","article-title":"Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: a framework for anti\u2013COVID-19 drug design","volume":"6","author":"Rut","year":"2020","journal-title":"Sci. Adv."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0455","doi-asserted-by":"crossref","first-page":"15140","DOI":"10.1002\/chem.202004112","article-title":"Gold metallodrugs to target coronavirus proteins: inhibitory effects on the spike-ACE2 interaction and on PLpro protease activity by auranofin and gold organometallics","volume":"26","author":"Gil-Moles","year":"2020","journal-title":"Chem. Eur. J."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0460","doi-asserted-by":"crossref","DOI":"10.3389\/fchem.2021.819165","article-title":"Targeting SARS-CoV-2 proteases for COVID-19 antiviral development","volume":"9","author":"Lv","year":"2022","journal-title":"Front. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0465","doi-asserted-by":"crossref","first-page":"466","DOI":"10.1016\/j.bmc.2014.12.015","article-title":"Flavonoids as noncompetitive inhibitors of dengue virus NS2B-NS3 protease: inhibition kinetics and docking studies","volume":"23","author":"de Sousa","year":"2015","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0470","doi-asserted-by":"crossref","first-page":"839","DOI":"10.3390\/v13050839","article-title":"HIV protease: historical perspective and current research","volume":"13","author":"Weber","year":"2021","journal-title":"Viruses"},{"key":"10.1016\/j.ijbiomac.2022.09.204_bb0475","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1038\/s42003-022-03090-9","article-title":"Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay","volume":"5","author":"Narayanan","year":"2022","journal-title":"Commun. Biol."}],"container-title":["International Journal of Biological Macromolecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0141813022021432?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0141813022021432?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T17:06:51Z","timestamp":1777482411000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0141813022021432"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,12]]},"references-count":93,"alternative-id":["S0141813022021432"],"URL":"https:\/\/doi.org\/10.1016\/j.ijbiomac.2022.09.204","relation":{},"ISSN":["0141-8130"],"issn-type":[{"value":"0141-8130","type":"print"}],"subject":[],"published":{"date-parts":[[2022,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Agathisflavone, a natural biflavonoid that inhibits SARS-CoV-2 replication by targeting its proteases","name":"articletitle","label":"Article Title"},{"value":"International Journal of Biological Macromolecules","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ijbiomac.2022.09.204","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier B.V.","name":"copyright","label":"Copyright"}]}}