{ 'indexed': {'date-parts': [[2023, 3, 27]], 'date-time': '2023-03-27T01:48:51Z', 'timestamp': 1679881731822},
'reference-count': 0,
'publisher': 'Bentham Science Publishers Ltd.',
'issue': '3',
'content-domain': {'domain': ['eurekaselect.com'], 'crossmark-restriction': True},
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'abstract': '<jats:sec>\n'
'<jats:title>Background:</jats:title>\n'
'<jats:p>2019-nCoVis, a novel coronavirus was isolated and identified in 2019 in\n'
'the city of Wuhan, China. On February 17, 2020 and according to the World Health '
'Organization,\n'
'71, 429 confirmed cases worldwide were identified, among them 2162 new cases were recorded '
'in\n'
'the last 24 hours. One month later, the confirmed cases jumped to 179111, with 11525 new '
'cases in\n'
'the last 24 hours, with 7426 total deaths. No drug or vaccine is present at the moment for '
'human\n'
'and animal coronavirus.</jats:p>\n'
'</jats:sec>\n'
'<jats:sec>\n'
'<jats:title>Methods:</jats:title>\n'
'<jats:p>The inhibition of 3CL hydrolase enzyme provides a promising therapeutic principle '
'for\n'
'developing treatments against CoViD-19. The 3CLpro (Mpro) is known for involving in '
'counteracting\n'
'the host innate immune response.</jats:p>\n'
'</jats:sec>\n'
'<jats:sec>\n'
'<jats:title>Results:</jats:title>\n'
'<jats:p>This work presents the inhibitory effect of some natural compounds against 3CL '
'hydrolase\n'
'enzyme, and explains the main interactions in inhibitor-enzyme complex. Molecular docking '
'study\n'
'was carried out using Autodock Vina. By screening several molecules, we identified three '
'candidate\n'
'agents that inhibit the main protease of coronavirus. Hispidin, lepidine E, and folic acid '
'are\n'
'bound tightly in the enzyme, therefore strong hydrogen bonds have been formed (1.69-1.80Å) '
'with\n'
'the active site residues.</jats:p>\n'
'</jats:sec>\n'
'<jats:sec>\n'
'<jats:title>Conclusion:</jats:title>\n'
'<jats:p>This study provides a possible therapeutic strategy for CoViD-19.</jats:p>\n'
'</jats:sec>',
'DOI': '10.2174/1573409916666200422075440',
'type': 'journal-article',
'created': {'date-parts': [[2020, 4, 23]], 'date-time': '2020-04-23T03:12:48Z', 'timestamp': 1587611568000},
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'update-policy': 'http://dx.doi.org/10.2174/bsp_crossmark_policy',
'source': 'Crossref',
'is-referenced-by-count': 37,
'title': 'Hispidin and Lepidine E: Two Natural Compounds and Folic Acid as Potential Inhibitors of '
'2019-novel Coronavirus Main Protease (2019-nCoVMpro), Molecular Docking and SAR Study',
'prefix': '10.2174',
'volume': '17',
'author': [ { 'ORCID': 'http://orcid.org/0000-0001-5197-1024',
'authenticated-orcid': True,
'given': 'Talia',
'family': 'Serseg',
'sequence': 'first',
'affiliation': [ { 'name': 'Laboratoire des Sciences Fondamentales, Faculte des Sciences, '
'Universite Amar Telidji, Laghouat, Algeria'}]},
{ 'ORCID': 'http://orcid.org/0000-0001-9112-6730',
'authenticated-orcid': True,
'given': 'Khedidja',
'family': 'Benarous',
'sequence': 'additional',
'affiliation': [ { 'name': 'Laboratoire des Sciences Fondamentales, Faculte des Sciences, '
'Universite Amar Telidji, Laghouat, Algeria'}]},
{ 'ORCID': 'http://orcid.org/0000-0003-3947-9867',
'authenticated-orcid': True,
'given': 'Mohamed',
'family': 'Yousfi',
'sequence': 'additional',
'affiliation': [ { 'name': 'Laboratoire des Sciences Fondamentales, Faculte des Sciences, '
'Universite Amar Telidji, Laghouat, Algeria'}]}],
'member': '965',
'container-title': 'Current Computer-Aided Drug Design',
'original-title': [],
'language': 'en',
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'date-time': '2021-07-22T14:13:34Z',
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'URL': 'http://dx.doi.org/10.2174/1573409916666200422075440',
'relation': {},
'ISSN': ['1573-4099'],
'subject': ['Drug Discovery', 'Molecular Medicine', 'General Medicine'],
'container-title-short': 'CAD',
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