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Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach

González-Paz et al., Biophysical Chemistry, doi:10.1016/j.bpc.2021.106677
Aug 2021  
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Ivermectin for COVID-19
4th treatment shown to reduce risk in August 2020, now with p < 0.00000000001 from 105 studies, recognized in 23 countries.
No treatment is 100% effective. Protocols combine treatments.
5,100+ studies for 112 treatments. c19ivm.org
In Silico analysis of the components of ivermectin (avermectin-B1a and avermectin-B1b), suggesting different and complementary inhibitory activity of each component, with an affinity of avermectin-B1b for viral structures, and of avermectin-B1a for host structures.
70 preclinical studies support the efficacy of ivermectin for COVID-19:
Ivermectin, better known for antiparasitic activity, is a broad spectrum antiviral with activity against many viruses including H7N768, Dengue34,69,70, HIV-170, Simian virus 4071, Zika34,72,73, West Nile73, Yellow Fever74,75, Japanese encephalitis74, Chikungunya75, Semliki Forest virus75, Human papillomavirus54, Epstein-Barr54, BK Polyomavirus76, and Sindbis virus75.
Ivermectin inhibits importin-α/β-dependent nuclear import of viral proteins68,70,71,77, shows spike-ACE2 disruption at 1nM with microfluidic diffusional sizing35, binds to glycan sites on the SARS-CoV-2 spike protein preventing interaction with blood and epithelial cells and inhibiting hemagglutination38,78, shows dose-dependent inhibition of wildtype and omicron variants33, exhibits dose-dependent inhibition of lung injury58,63, may inhibit SARS-CoV-2 via IMPase inhibition34, may inhibit SARS-CoV-2 induced formation of fibrin clots resistant to degradation7, inhibits SARS-CoV-2 3CLpro51, may inhibit SARS-CoV-2 RdRp activity26, may minimize viral myocarditis by inhibiting NF-κB/p65-mediated inflammation in macrophages57, may be beneficial for COVID-19 ARDS by blocking GSDMD and NET formation79, may interfere with SARS-CoV-2's immune evasion via ORF8 binding2, may inhibit SARS-CoV-2 by disrupting CD147 interaction80-83, shows protection against inflammation, cytokine storm, and mortality in an LPS mouse model sharing key pathological features of severe COVID-1956,84, may be beneficial in severe COVID-19 by binding IGF1 to inhibit the promotion of inflammation, fibrosis, and cell proliferation that leads to lung damage6, may minimize SARS-CoV-2 induced cardiac damage37,45, increases Bifidobacteria which play a key role in the immune system85, has immunomodulatory48 and anti-inflammatory67,86 properties, and has an extensive and very positive safety profile87.
González-Paz et al., 19 Aug 2021, peer-reviewed, 9 authors.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperIvermectinAll
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Dyn.'}, { 'issue': '6', 'key': '10.1016/j.bpc.2021.106677_bb0030', 'article-title': 'Ivermectin as pre-exposure prophylaxis for COVID-19 among healthcare ' 'providers in a selected tertiary hospital in Dhaka – an observational ' 'study', 'volume': '2', 'author': 'Alam', 'year': '2020', 'journal-title': 'Eur. J. Med. Health Sci.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0035', 'doi-asserted-by': 'crossref', 'first-page': '1', 'DOI': '10.1038/s42003-020-01577-x', 'article-title': 'Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as ' 'potential anti-SARS-CoV-2 agents', 'volume': '4', 'author': 'Mody', 'year': '2021', 'journal-title': 'Commun. Biol.'}, { 'issue': '9', 'key': '10.1016/j.bpc.2021.106677_bb0040', 'doi-asserted-by': 'crossref', 'first-page': '593', 'DOI': '10.1038/s41429-020-0336-z', 'article-title': 'Ivermectin: a systematic review from antiviral effects to COVID-19 ' 'complementary regimen', 'volume': '73', 'author': 'Heidary', 'year': '2020', 'journal-title': 'J. Antibiot.'}, { 'issue': '3', 'key': '10.1016/j.bpc.2021.106677_bb0045', 'doi-asserted-by': 'crossref', 'DOI': '10.3390/scipharm88030036', 'article-title': 'Antiviral activity of ivermectin against SARS-CoV-2: an old-fashioned ' 'dog with a new trick–a literature review', 'volume': '88', 'author': 'Mudatsir', 'year': '2020', 'journal-title': 'Sci. Pharm.'}, { 'issue': '8', 'key': '10.1016/j.bpc.2021.106677_bb0050', 'doi-asserted-by': 'crossref', 'first-page': '1884', 'DOI': '10.1093/jac/dks147', 'article-title': 'Ivermectin is a potent inhibitor of flavivirus replication specifically ' 'targeting NS3 helicase activity: new prospects for an old drug', 'volume': '67', 'author': 'Mastrangelo', 'year': '2012', 'journal-title': 'J. Antimicrob. Chemother.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0055', 'doi-asserted-by': 'crossref', 'first-page': '526', 'DOI': '10.3389/fphy.2020.587606', 'article-title': 'Can non-steroidal anti-inflammatory drugs affect the interaction ' 'between receptor binding domain of SARS-COV-2 spike and the human ACE2 ' 'receptor? A computational biophysical study', 'volume': '8', 'author': 'González-Paz', 'year': '2020', 'journal-title': 'Front. Phys.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0060', 'doi-asserted-by': 'crossref', 'first-page': '277', 'DOI': '10.1016/j.bpj.2015.06.014', 'article-title': 'MD simulations and FRET reveal an environment-sensitive conformational ' 'plasticity of importin-β', 'volume': '109', 'author': 'Halder', 'year': '2015', 'journal-title': 'Biophys. J.'}, { 'issue': '8', 'key': '10.1016/j.bpc.2021.106677_bb0065', 'doi-asserted-by': 'crossref', 'first-page': '1114', 'DOI': '10.1016/j.bbamcr.2018.05.006', 'article-title': 'Contribution of the residue at position 4 within classical nuclear ' 'localization signals to modulating interaction with importins and ' 'nuclear targeting', 'volume': '1865', 'author': 'Smith', 'year': '2018', 'journal-title': 'Biochim. Biophys. Acta, Mol. Cell Res.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0070', 'doi-asserted-by': 'crossref', 'first-page': '1458', 'DOI': '10.1038/s41598-020-58316-9', 'article-title': 'Comparative study of the interactions between fungal transcription ' 'factor nuclear localization sequences with mammalian and fungal ' 'importin-alpha', 'volume': '10', 'author': 'Bernardes', 'year': '2020', 'journal-title': 'Sci. Rep.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0075', 'doi-asserted-by': 'crossref', 'first-page': '281', 'DOI': '10.1042/BST20200568', 'article-title': 'Antivirals that target the host IMPα/β1-virus interface', 'volume': '9', 'author': 'Martin', 'year': '2021', 'journal-title': 'Biochem. Soc. Trans.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0080', 'doi-asserted-by': 'crossref', 'first-page': '138193', 'DOI': '10.1016/j.cplett.2020.138193', 'article-title': 'An in-silico study on selected organosulfur compounds as potential ' 'drugs for SARS-CoV-2 infection via binding multiple drug targets', 'volume': '763', 'author': 'Thurakkal', 'year': '2021', 'journal-title': 'Chem. Phys. Lett.'}, { 'issue': '3', 'key': '10.1016/j.bpc.2021.106677_bb0085', 'doi-asserted-by': 'crossref', 'first-page': '77', 'DOI': '10.3390/computation8030077', 'article-title': 'Exploring the SARS-CoV-2 proteome in the search of potential inhibitors ' 'via structure-based pharmacophore modeling/docking approach', 'volume': '8', 'author': 'Culletta', 'year': '2020', 'journal-title': 'Computation'}, { 'key': '10.1016/j.bpc.2021.106677_bb0090', 'doi-asserted-by': 'crossref', 'first-page': '100484', 'DOI': '10.1016/j.imu.2020.100484', 'article-title': 'Plausible mechanisms explaining the role of cucurbitacins as potential ' 'therapeutic drugs against coronavirus 2019', 'volume': '21', 'author': 'Kapoor', 'year': '2020', 'journal-title': 'Informatics Med. Unlocked'}, { 'key': '10.1016/j.bpc.2021.106677_bb0095', 'first-page': '1', 'article-title': 'Prospecting for Cressa cretica to treat COVID-19 via in silico ' 'molecular docking models of the SARS-CoV-2', 'volume': '15', 'author': 'Shah', 'year': '2021', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0100', 'doi-asserted-by': 'crossref', 'DOI': '10.1016/j.jiph.2020.12.037', 'article-title': 'Essential oils as an effective alternative for the treatment of ' 'COVID-19: molecular interaction analysis of protease (Mpro) with ' 'pharmacokinetics and toxicological properties', 'author': 'Panikar', 'year': '2021', 'journal-title': 'J. Infect. Publ. Health.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0105', 'doi-asserted-by': 'crossref', 'first-page': '129178', 'DOI': '10.1016/j.molstruc.2020.129178', 'article-title': 'Exploration of inhibitory action of Azo imidazole derivatives against ' 'COVID-19 main protease (Mpro): a computational study', 'volume': '1224', 'author': 'Chhetri', 'year': '2021', 'journal-title': 'J. Mol. Struct.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0110', 'doi-asserted-by': 'crossref', 'first-page': '101924', 'DOI': '10.1016/j.bcab.2021.101924', 'article-title': 'Molecular dynamics analysis of phytochemicals from Ageratina adenophora ' 'against COVID-19 main protease (Mpro) and human angiotensin-converting ' 'enzyme 2 (ACE2)', 'volume': '32', 'author': 'Neupane', 'year': '2021', 'journal-title': 'Biocatalysis Agric. Biotechnol.'}, { 'issue': 'W1', 'key': '10.1016/j.bpc.2021.106677_bb0115', 'doi-asserted-by': 'crossref', 'first-page': 'W436', 'DOI': '10.1093/nar/gkv462', 'article-title': 'PockDrug-server: a new web server for predicting pocket druggability on ' 'holo and apo proteins', 'volume': '43', 'author': 'Hussein', 'year': '2015', 'journal-title': 'Nucleic Acids Res.'}, { 'issue': '886', 'key': '10.1016/j.bpc.2021.106677_bb0120', 'doi-asserted-by': 'crossref', 'first-page': '173430', 'DOI': '10.1016/j.ejphar.2020.173430', 'article-title': 'In silico molecular docking analysis for repurposing therapeutics ' 'against multiple proteins from SARS-CoV-2', 'volume': '5', 'author': 'Deshpande', 'year': '2020', 'journal-title': 'Eur. J. Pharmacol.'}, { 'issue': '6', 'key': '10.1016/j.bpc.2021.106677_bb0125', 'doi-asserted-by': 'crossref', 'DOI': '10.1042/BSR20201256', 'article-title': 'Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 ' 'main protease: possible implication in COVID-19 therapy', 'volume': '40', 'author': 'Shamsi', 'year': '2020', 'journal-title': 'Biosci. Rep.'}, { 'issue': '4', 'key': '10.1016/j.bpc.2021.106677_bb0130', 'doi-asserted-by': 'crossref', 'first-page': '592', 'DOI': '10.1134/S0026893313040122', 'article-title': 'Search for invisible binding sites of low-molecular-weight compounds on ' 'protein molecules and prediction of inhibitory activity', 'volume': '47', 'author': 'Popov', 'year': '2013', 'journal-title': 'Mol. Biol.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0135', 'doi-asserted-by': 'crossref', 'first-page': 'W441', 'DOI': '10.1093/nar/gkp253', 'article-title': 'IC50-to-Ki: a web-based tool for converting IC50 to Ki values for ' 'inhibitors of enzyme activity and ligand binding', 'volume': '37', 'author': 'Cer', 'year': '2009', 'journal-title': 'Nucleic Acids Res.'}, { 'issue': '44', 'key': '10.1016/j.bpc.2021.106677_bb0140', 'doi-asserted-by': 'crossref', 'first-page': '27381', 'DOI': '10.1073/pnas.2010470117', 'article-title': 'Identify potent SARS-CoV-2 main protease inhibitors via accelerated ' 'free energy perturbation-based virtual screening of existing drugs', 'volume': '117', 'author': 'Li', 'year': '2020', 'journal-title': 'Proc. Natl. Acad. Sci.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0145', 'doi-asserted-by': 'crossref', 'first-page': '214', 'DOI': '10.1021/ed080p214', 'article-title': 'An intuitive look at the relationship of Ki and IC50: a more general ' 'use for the Dixon plot', 'volume': '80', 'author': 'Burlingham', 'year': '2003', 'journal-title': 'J. Chem. Educ.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0150', 'doi-asserted-by': 'crossref', 'first-page': '469', 'DOI': '10.1080/13102818.2020.1775118', 'article-title': 'Ivermectin as a potential COVID-19 treatment from the pharmacokinetic ' 'point of view: antiviral levels are not likely attainable with known ' 'dosing regimens', 'volume': '34', 'author': 'Momekov', 'year': '2020', 'journal-title': 'Biotechnol. Biotechnol. Equip.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0155', 'doi-asserted-by': 'crossref', 'first-page': '140', 'DOI': '10.2142/biophysico.BSJ-2020013', 'article-title': 'myPresto/omegagene 2020: a molecular dynamics simulation engine for ' 'virtual-system coupled sampling', 'volume': '17', 'author': 'Kasahara', 'year': '2020', 'journal-title': 'Biophys. Physicobiol.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0160', 'article-title': 'A bioinformatics study of structural perturbation of 3CL-protease and ' 'the HR2-domain of SARS-CoV-2 induced by synergistic interaction with ' 'ivermectins', 'volume': '11', 'author': 'González-Paz', 'year': '2021', 'journal-title': 'Biointerface Research in Applied Chemistry'}, { 'issue': 'Web Server issue', 'key': '10.1016/j.bpc.2021.106677_bb0165', 'doi-asserted-by': 'crossref', 'first-page': 'W310', 'DOI': '10.1093/nar/gks478', 'article-title': 'NMSim web server: integrated approach for normal mode-based geometric ' 'simulations of biologically relevant conformational transitions in ' 'proteins', 'volume': '40', 'author': 'Krüger', 'year': '2012', 'journal-title': 'Nucleic Acids Res.'}, { 'issue': 'W1', 'key': '10.1016/j.bpc.2021.106677_bb0170', 'doi-asserted-by': 'crossref', 'first-page': 'W557', 'DOI': '10.1093/nar/gkw390', 'article-title': 'CSM-lig: a web server for assessing and comparing protein-small ' 'molecule affinities', 'volume': '44', 'author': 'Pires', 'year': '2016', 'journal-title': 'Nucleic Acids Res.'}, { 'issue': 'W1', 'key': '10.1016/j.bpc.2021.106677_bb0175', 'doi-asserted-by': 'crossref', 'first-page': 'W94', 'DOI': '10.1093/nar/gkaa397', 'article-title': 'webPSN v2. 0: a webserver to infer fingerprints of structural ' 'communication in biomacromolecules', 'volume': '48', 'author': 'Felline', 'year': '2020', 'journal-title': 'Nucleic Acids Res.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0180', 'first-page': '1', 'article-title': 'Binding mechanism and structural insights into the identified protein ' 'target of COVID-19 and importin-α with in-vitro effective drug ' 'ivermectin', 'author': 'Sen Gupta', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0185', 'doi-asserted-by': 'crossref', 'first-page': '130733', 'DOI': '10.1016/j.molstruc.2021.130733', 'article-title': 'DFT, molecular docking and molecular dynamics simulation studies on ' 'some newly introduced natural products for their potential use against ' 'SARS-CoV-2', 'author': 'Erdogan', 'year': '2021', 'journal-title': 'J. Mol. Struct.'}, { 'issue': '8', 'key': '10.1016/j.bpc.2021.106677_bb0190', 'doi-asserted-by': 'crossref', 'first-page': '541', 'DOI': '10.1002/jcc.24703', 'article-title': 'SMPBS: Web server for computing biomolecular electrostatics using ' 'finite element solvers of size modified Poisson-Boltzmann equation', 'volume': '38', 'author': 'Xie', 'year': '2017', 'journal-title': 'J. Comput. Chem.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0195', 'first-page': '1', 'article-title': 'Repurposing of the approved small molecule drugs in order to inhibit ' 'SARS-CoV-2 S protein and human ACE2 interaction through virtual ' 'screening approaches', 'author': 'Kalhor', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0200', 'first-page': '1', 'article-title': 'Mechanistic insights into the inhibitory activity of FDA approved ' 'ivermectin against SARS-CoV-2: old drug with new implications', 'author': 'Qureshi', 'year': '2021', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0205', 'first-page': '1', 'article-title': 'Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from ' 'molecular modeling and virtual screening', 'author': 'de Oliveira', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0210', 'first-page': '1', 'article-title': 'Network analysis, sequence and structure dynamics of key proteins of ' 'coronavirus and human host, and molecular docking of selected ' 'phytochemicals of nine medicinal plants', 'volume': '20', 'author': 'Fatoki', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'issue': '4', 'key': '10.1016/j.bpc.2021.106677_bb0215', 'doi-asserted-by': 'crossref', 'first-page': '856', 'DOI': '10.1016/j.bpj.2018.01.002', 'article-title': 'HullRad: fast calculations of folded and disordered protein and nucleic ' 'acid hydrodynamic properties', 'volume': '114', 'author': 'Fleming', 'year': '2018', 'journal-title': 'Biophys. J.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0220', 'first-page': '1', 'article-title': 'Drug repurposing for coronavirus (COVID-19): in silico screening of ' 'known drugs against coronavirus 3CL hydrolase and protease enzymes', 'author': 'Elmezayen', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0225', 'doi-asserted-by': 'crossref', 'first-page': '91', 'DOI': '10.1007/s12551-016-0247-1', 'article-title': 'Software for molecular docking: a review', 'volume': '9', 'author': 'Pagadala', 'year': '2017', 'journal-title': 'Biophys. Rev.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0230', 'first-page': '1', 'article-title': 'An in-silico analysis of ivermectin interaction with potential ' 'SARS-CoV-2 targets and host nuclear importin α', 'author': 'Azam', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0235', 'doi-asserted-by': 'crossref', 'first-page': '101315', 'DOI': '10.1016/j.jksus.2020.101315', 'article-title': 'Computational investigations of three main drugs and their comparison ' 'with synthesized compounds as potent inhibitors of SARS-CoV-2 main ' 'protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity ' 'analysis', 'volume': '33', 'author': 'Mohapatra', 'year': '2020', 'journal-title': 'J. King Saud Univ.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0240', 'doi-asserted-by': 'crossref', 'first-page': '37707', 'DOI': '10.1039/D0RA06379G', 'article-title': 'Ilimaquinone (marine sponge metabolite) as a novel inhibitor of ' 'SARS-CoV-2 key target proteins in comparison with suggested COVID-19 ' 'drugs: designing, docking and molecular dynamics simulation study', 'volume': '10', 'author': 'Surti', 'year': '2020', 'journal-title': 'RSC Adv.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0245', 'doi-asserted-by': 'crossref', 'first-page': '761', 'DOI': '10.1039/D0NJ03708G', 'article-title': 'Two antioxidant 2, 5-disubstituted-1, 3, 4-oxadiazoles (CoViTris2020 ' 'and ChloViD2020): successful repurposing against COVID-19 as the first ' 'potent multitarget anti-SARS-CoV-2 drugs', 'volume': '45', 'author': 'Rabie', 'year': '2021', 'journal-title': 'New J. Chem.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0250', 'first-page': '1', 'article-title': 'Step toward repurposing drug discovery for COVID-19 therapeutics ' 'through in silico approach', 'author': 'Marak', 'year': '2020', 'journal-title': 'Drug Dev. Res.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0255', 'article-title': 'Comparative docking of SARS-CoV-2 receptors antagonists from ' 'repurposing drugs', 'author': 'Oliveira', 'year': '2020', 'journal-title': 'ChemRxiv Prepr.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0260', 'doi-asserted-by': 'crossref', 'first-page': '2331', 'DOI': '10.33263/LIANBS102.23312338', 'article-title': 'Repurposing of anthelmintic drugs against SARS-CoV-2 (Mpro and RdRp): ' 'novel disease, older therapeutics', 'volume': '10', 'author': 'Cheke', 'year': '2020', 'journal-title': 'Letters in Applied NanoBioScience'}, { 'key': '10.1016/j.bpc.2021.106677_bb0265', 'first-page': '1', 'article-title': 'Molecular dynamics simulation perception study of the binding affinity ' 'performance for main protease of SARS-CoV-2', 'volume': '23', 'author': 'Sahu', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0270', 'doi-asserted-by': 'crossref', 'first-page': '1563', 'DOI': '10.1080/16583655.2020.1848049', 'article-title': 'Molecular docking and dynamic simulations of some medicinal plants ' 'compounds against SARS-CoV-2: an in silico study', 'volume': '14', 'author': 'Adejoro', 'year': '2020', 'journal-title': 'J. Taibah Univ. Sci.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0275', 'doi-asserted-by': 'crossref', 'first-page': '667', 'DOI': '10.1021/acs.jcim.9b00905', 'article-title': 'Highly flexible ligand docking: benchmarking of the DockThor program on ' 'the LEADS-PEP protein–peptide data set', 'volume': '60', 'author': 'Santos', 'year': '2020', 'journal-title': 'J. Chem. Inf. Model.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0280', 'doi-asserted-by': 'crossref', 'first-page': '5543', 'DOI': '10.1038/s41598-021-84700-0', 'article-title': 'Drug design and repurposing with DockThor-VS web server: virtual ' 'screening focusing on SARS-CoV-2 therapeutic targets and their ' 'non-synonym variants', 'volume': '11', 'author': 'Guedes', 'year': '2020', 'journal-title': 'Sci. Rep.'}, { 'issue': '16', 'key': '10.1016/j.bpc.2021.106677_bb0285', 'doi-asserted-by': 'crossref', 'first-page': '4513', 'DOI': '10.1093/bioinformatics/btaa579', 'article-title': 'Webina: an open-source library and web app that runs AutoDock Vina ' 'entirely in the web browser', 'volume': '36', 'author': 'Kochnev', 'year': '2020', 'journal-title': 'Bioinformatics'}, { 'issue': '21', 'key': '10.1016/j.bpc.2021.106677_bb0290', 'doi-asserted-by': 'crossref', 'first-page': 'e55', 'DOI': '10.1158/0008-5472.CAN-17-0511', 'article-title': 'DINC 2.0: a new protein–peptide docking webserver using an incremental ' 'approach', 'volume': '77', 'author': 'Antunes', 'year': '2017', 'journal-title': 'Cancer Res.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0295', 'first-page': '1', 'article-title': 'DINC: a new AutoDock-based protocol for docking large ligands', 'volume': '13', 'author': 'Dhanik', 'year': '2013', 'journal-title': 'BMC Struct. Biol.'}, { 'issue': 'W1', 'key': '10.1016/j.bpc.2021.106677_bb0300', 'doi-asserted-by': 'crossref', 'first-page': 'W438', 'DOI': '10.1093/nar/gky439', 'article-title': 'COACH-D: improved protein–ligand binding sites prediction with refined ' 'ligand-binding poses through molecular docking', 'volume': '46', 'author': 'Wu', 'year': '2018', 'journal-title': 'Nucleic Acids Res.'}, { 'issue': '14', 'key': '10.1016/j.bpc.2021.106677_bb0305', 'doi-asserted-by': 'crossref', 'first-page': '3558', 'DOI': '10.3390/ijms20143558', 'article-title': 'Can we still trust docking results? An extension of the applicability ' 'of DockBench on PDBbind database', 'volume': '20', 'author': 'Bolcato', 'year': '2019', 'journal-title': 'Int. J. Mol. Sci.'}, { 'issue': '6489', 'key': '10.1016/j.bpc.2021.106677_bb0310', '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 α-ketoamide inhibitors', 'volume': '368', 'author': 'Zhang', 'year': '2020', 'journal-title': 'Science'}, { 'key': '10.1016/j.bpc.2021.106677_bb0315', 'article-title': 'Repurposing Ivermectin to inhibit the activity of SARS CoV2 helicase: ' 'possible implications for COVID 19 therapeutics', 'author': 'Khater', 'year': '2020', 'journal-title': 'OSF Prepr.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0320', 'doi-asserted-by': 'crossref', 'first-page': '326', 'DOI': '10.1016/0378-4347(87)80248-7', 'article-title': 'Determination of 22,23-dihydroavermectin B1a in dog plasma using ' 'solid-phase extraction and high-performance liquid chromatography', 'volume': '413', 'author': 'Kojima', 'year': '1987', 'journal-title': 'J. Chromatogr. B Biomed. Sci. Appl.'}, { 'issue': '4', 'key': '10.1016/j.bpc.2021.106677_bb0325', 'first-page': '464', 'article-title': 'The metabolism of avermectin-H2B1a and-H2B1b by pig liver microsomes', 'volume': '12', 'author': 'Chiu', 'year': '1984', 'journal-title': 'Drug Metab. Dispos.'}, { 'issue': '3', 'key': '10.1016/j.bpc.2021.106677_bb0330', 'first-page': '268', 'article-title': 'The metabolism of avermectins B1a, H2B1a, and H2B1b by liver microsomes', 'volume': '10', 'author': 'Miwa', 'year': '1982', 'journal-title': 'Drug Metab. Dispos.'}, { 'issue': '5', 'key': '10.1016/j.bpc.2021.106677_bb0335', 'first-page': '590', 'article-title': 'Metabolic disposition of ivermectin in tissues of cattle, sheep, and ' 'rats', 'volume': '14', 'author': 'Chiu', 'year': '1986', 'journal-title': 'Drug Metab. Dispos.'}, { 'issue': '10', 'key': '10.1016/j.bpc.2021.106677_bb0340', 'doi-asserted-by': 'crossref', 'first-page': '174', 'DOI': '10.1080/00480169.1981.34836', 'article-title': 'An introduction to the avermectins', 'volume': '29', 'author': 'Campbell', 'year': '1981', 'journal-title': 'N. Z. Vet. J.'}, { 'issue': '4613', 'key': '10.1016/j.bpc.2021.106677_bb0345', 'doi-asserted-by': 'crossref', 'first-page': '823', 'DOI': '10.1126/science.6308762', 'article-title': 'Ivermectin: a potent new antiparasitic agent', 'volume': '221', 'author': 'Campbell', 'year': '1983', 'journal-title': 'Science'}, { 'key': '10.1016/j.bpc.2021.106677_bb0350', 'doi-asserted-by': 'crossref', 'first-page': '104805', 'DOI': '10.1016/j.antiviral.2020.104805', 'article-title': 'Ivermectin and COVID-19: a report in antiviral research, widespread ' 'interest, an FDA warning, two letters to the editor and the authors’ ' 'responses', 'volume': '178', 'author': 'Bray', 'year': '2020', 'journal-title': 'Antivir. Res.'}, { 'issue': '6', 'key': '10.1016/j.bpc.2021.106677_bb0355', 'doi-asserted-by': 'crossref', 'first-page': '853', 'DOI': '10.2174/138920112800399095', 'article-title': 'History of avermectin and ivermectin, with notes on the history of ' 'other macrocyclic lactone antiparasitic agents', 'volume': '13', 'author': 'Campbell', 'year': '2012', 'journal-title': 'Curr. Pharm. Biotechnol.'}, { 'issue': '5', 'key': '10.1016/j.bpc.2021.106677_bb0360', 'doi-asserted-by': 'crossref', 'first-page': '407', 'DOI': '10.1007/s002280050131', 'article-title': 'Ivermectin distribution in the plasma and tissues of patients infected ' 'with Onchocerca volvulus', 'volume': '50', 'author': 'Baraka', 'year': '1996', 'journal-title': 'Eur. J. Clin. Pharmacol.'}, { 'issue': '3', 'key': '10.1016/j.bpc.2021.106677_bb0365', 'doi-asserted-by': 'crossref', 'first-page': '1589', 'DOI': '10.1111/bcp.14476', 'article-title': 'Pharmacokinetic considerations on the repurposing of ivermectin for ' 'treatment of COVID-19', 'volume': '87', 'author': 'Peña-Silva', 'year': '2021', 'journal-title': 'Br. J. Clin. Pharmacol.'}, { 'issue': '6', 'key': '10.1016/j.bpc.2021.106677_bb0370', 'doi-asserted-by': 'crossref', 'first-page': '297', 'DOI': '10.1021/acscombsci.0c00058', 'article-title': 'Targeting the dimerization of the main protease of coronaviruses: a ' 'potential broad-spectrum therapeutic strategy', 'volume': '22', 'author': 'Goyal', 'year': '2020', 'journal-title': 'ACS Comb. Sci.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0375', 'doi-asserted-by': 'crossref', 'first-page': '34', 'DOI': '10.1016/j.abb.2008.01.023', 'article-title': 'Correlation between dissociation and catalysis of SARS-CoV main ' 'protease', 'volume': '472', 'author': 'Lin', 'year': '2008', 'journal-title': 'Arch. Biochem. Biophys.'}, { 'issue': '9', 'key': '10.1016/j.bpc.2021.106677_bb0380', 'doi-asserted-by': 'crossref', 'first-page': '4620', 'DOI': '10.1128/JVI.02680-07', 'article-title': 'Mechanism for controlling the dimer-monomer switch and coupling ' 'dimerization to catalysis of the severe acute respiratory syndrome ' 'coronavirus 3C-like protease', 'volume': '82', 'author': 'Shi', 'year': '2008', 'journal-title': 'J. Virol.'}, { 'issue': '5', 'key': '10.1016/j.bpc.2021.106677_bb0385', 'doi-asserted-by': 'crossref', 'first-page': '747', 'DOI': '10.1107/S0907444913001315', 'article-title': 'Mechanism for controlling the monomer–dimer conversion of SARS ' 'coronavirus main protease', 'volume': '69', 'author': 'Wu', 'year': '2013', 'journal-title': 'Acta Crystallogr. D Biol. Crystallogr.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0390', 'article-title': 'A combination of ivermectin and doxycycline possibly blocks the viral ' 'entry and modulate the innate immune response in COVID-19 patients', 'author': 'Maurya', 'year': '2020', 'journal-title': 'ChemRxiv Prepr.'}, { 'issue': '50', 'key': '10.1016/j.bpc.2021.106677_bb0395', 'doi-asserted-by': 'crossref', 'DOI': '10.1126/sciadv.abe0751', 'article-title': 'Structure and inhibition of the SARS-CoV-2 main protease reveal ' 'strategy for developing dual inhibitors against Mpro and cathepsin L', 'volume': '6', 'author': 'Sacco', 'year': '2020', 'journal-title': 'Sci. Adv.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0400', 'doi-asserted-by': 'crossref', 'first-page': '104787', 'DOI': '10.1016/j.antiviral.2020.104787', 'article-title': 'The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 ' 'in vitro', 'volume': '178', 'author': 'Caly', 'year': '2020', 'journal-title': 'Antivir. Res.'}, { 'issue': '6', 'key': '10.1016/j.bpc.2021.106677_bb0405', 'doi-asserted-by': 'crossref', 'first-page': '463', 'DOI': '10.1016/j.pt.2017.02.004', 'article-title': 'Ivermectin – old drug, new tricks?', 'volume': '33', 'author': 'Laing', 'year': '2017', 'journal-title': 'Trends Parasitol.'}, { 'issue': '12', 'key': '10.1016/j.bpc.2021.106677_bb0410', 'doi-asserted-by': 'crossref', 'first-page': '2654', 'DOI': '10.3390/cells9122654', 'article-title': 'The role of protein disorder in nuclear transport and in its subversion ' 'by viruses', 'volume': '9', 'author': 'Wubben', 'year': '2020', 'journal-title': 'Cells'}, { 'issue': '23', 'key': '10.1016/j.bpc.2021.106677_bb0415', 'doi-asserted-by': 'crossref', 'first-page': '8464', 'DOI': '10.1073/pnas.1316039111', 'article-title': 'Molecular-crowding effects on single-molecule RNA folding/unfolding ' 'thermodynamics and kinetics', 'volume': '111', 'author': 'Dupuis', 'year': '2014', 'journal-title': 'Proc. Natl. Acad. Sci.'}, { 'issue': '21', 'key': '10.1016/j.bpc.2021.106677_bb0420', 'doi-asserted-by': 'crossref', 'first-page': '4477', 'DOI': '10.1021/acs.jpcb.9b01239', 'article-title': 'Impact of molecular crowding on translational mobility and ' 'conformational properties of biological macromolecules', 'volume': '123', 'author': 'Junker', 'year': '2019', 'journal-title': 'J. Phys. Chem. B'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0425', 'doi-asserted-by': 'crossref', 'first-page': '289', 'DOI': '10.1007/s13167-020-00209-y', 'article-title': 'Anti-parasite drug ivermectin can suppress ovarian cancer by regulating ' 'lncRNA-EIF4A3-mRNA axes', 'volume': '11', 'author': 'Li', 'year': '2020', 'journal-title': 'EPMA Journal'}, { 'issue': '4', 'key': '10.1016/j.bpc.2021.106677_bb0430', 'doi-asserted-by': 'crossref', 'first-page': '762', 'DOI': '10.1002/cpt.1889', 'article-title': 'The approved dose of ivermectin alone is not the ideal dose for the ' 'treatment of COVID-19', 'volume': '108', 'author': 'Schmith', 'year': '2020', 'journal-title': 'Clin. Pharmacolo. Ther.'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0435', 'doi-asserted-by': 'crossref', 'first-page': '260', 'DOI': '10.1111/fcp.12644', 'article-title': 'A systematic review of experimental evidence for antiviral effects of ' 'ivermectin and an in-silico analysis of ivermectin’s possible mode of ' 'action against SARS-CoV-2', 'volume': '35', 'author': 'Kinobe', 'year': '2021', 'journal-title': 'Fundam. Clin. Pharmacol.'}, { 'issue': '11', 'key': '10.1016/j.bpc.2021.106677_bb0440', 'doi-asserted-by': 'crossref', 'first-page': '115103', 'DOI': '10.1063/1.3694268', 'article-title': 'Dimethyl sulfoxide induced structural transformations and non-monotonic ' 'concentration dependence of conformational fluctuation around active ' 'site of lysozyme', 'volume': '136', 'author': 'Roy', 'year': '2012', 'journal-title': 'J. Chem. Phys.'}, { 'issue': '38', 'key': '10.1016/j.bpc.2021.106677_bb0445', 'doi-asserted-by': 'crossref', 'first-page': '8201', 'DOI': '10.1021/acs.jpcb.0c03716', 'article-title': 'Interdiction of protein folding for therapeutic drug development in ' 'SARS CoV-2', 'volume': '124', 'author': 'Bergasa-Caceres', 'year': '2020', 'journal-title': 'J. Phys. Chem. B'}, { 'key': '10.1016/j.bpc.2021.106677_bb0450', 'doi-asserted-by': 'crossref', 'first-page': '183', 'DOI': '10.1016/j.sbi.2020.10.024', 'article-title': 'Protein-complex stability in cells and in vitro under crowded ' 'conditions', 'volume': '66', 'author': 'Stadmiller', 'year': '2021', 'journal-title': 'Curr. Opin. Struct. Biol.'}, { 'issue': '4', 'key': '10.1016/j.bpc.2021.106677_bb0455', 'doi-asserted-by': 'crossref', 'first-page': '277', 'DOI': '10.2217/fvl-2020-0342', 'article-title': 'Exploring the binding efficacy of ivermectin against the key proteins ' 'of SARS-CoV-2 pathogenesis: an in silico approach', 'volume': '16', 'author': 'Choudhury', 'year': '2021', 'journal-title': 'Futur. Virol.'}, { 'issue': '12', 'key': '10.1016/j.bpc.2021.106677_bb0460', 'doi-asserted-by': 'crossref', 'first-page': '8638', 'DOI': '10.1016/j.arabjc.2020.09.050', 'article-title': 'Design, synthesis, characterization, computational study and in-vitro ' 'antioxidant and anti-inflammatory activities of few novel 6-aryl ' 'substituted pyrimidine azo dyes', 'volume': '13', 'author': 'Unnisa', 'year': '2020', 'journal-title': 'Arab. J. Chem.'}, { 'issue': '11', 'key': '10.1016/j.bpc.2021.106677_bb0465', 'doi-asserted-by': 'crossref', 'first-page': '1134', 'DOI': '10.1021/acsmedchemlett.8b00397', 'article-title': 'Prediction of drug–target binding kinetics by comparative binding ' 'energy analysis', 'volume': '9', 'author': 'Ganotra', 'year': '2018', 'journal-title': 'ACS Med. Chem. Lett.'}, { 'issue': '9', 'key': '10.1016/j.bpc.2021.106677_bb0470', 'doi-asserted-by': 'crossref', 'first-page': '2147', 'DOI': '10.1007/s11064-019-02852-y', 'article-title': 'The binding mechanisms and inhibitory effect of intravenous anesthetics ' 'on AChE in vitro and in vivo: kinetic analysis and molecular docking', 'volume': '44', 'author': 'Işık', 'year': '2019', 'journal-title': 'Neurochem. Res.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0475', 'first-page': '1', 'article-title': 'Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from ' 'medicinal plants of the Andean Region: molecular docking and molecular ' 'dynamics simulations', 'author': 'Mosquera-Yuqui', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0480', 'first-page': '1', 'article-title': 'Biflavonoids from Rhus succedanea as probable natural inhibitors ' 'against SARS-CoV-2: a molecular docking and molecular dynamics approach', 'author': 'Lokhande', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0485', 'first-page': '661230', 'article-title': 'Molecular docking and dynamics simulations reveal the potential of ' 'anti-HCV drugs to inhibit COVID-19 main protease', 'volume': '9', 'author': 'Al-Karmalawy', 'year': '2021', 'journal-title': 'Pharmaceutical Sciences'}, { 'issue': '2', 'key': '10.1016/j.bpc.2021.106677_bb0490', 'doi-asserted-by': 'crossref', 'first-page': '190', 'DOI': '10.1002/prot.10031', 'article-title': 'Potential of mean force for protein–protein interaction studies', 'volume': '46', 'author': 'Jiang', 'year': '2002', 'journal-title': 'Proteins Struct. Funct. Bioinforma.'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0495', 'doi-asserted-by': 'crossref', 'first-page': '1', 'DOI': '10.1186/1471-2105-11-298', 'article-title': 'An interaction-motif-based scoring function for protein-ligand docking', 'volume': '11', 'author': 'Xie', 'year': '2010', 'journal-title': 'BMC Bioinformatics'}, { 'key': '10.1016/j.bpc.2021.106677_bb0500', 'doi-asserted-by': 'crossref', 'first-page': '592908', 'DOI': '10.3389/fmicb.2020.592908', 'article-title': 'Molecular docking reveals ivermectin and remdesivir as potential ' 'repurposed drugs against SARS-CoV-2', 'volume': '11', 'author': 'Eweas', 'year': '2020', 'journal-title': 'Front. Microbiol.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0505', 'doi-asserted-by': 'crossref', 'first-page': '104699', 'DOI': '10.1016/j.meegid.2020.104699', 'article-title': 'Pharmacoinformatics based elucidation and designing of potential ' 'inhibitors against Plasmodium falciparum to target importin α/β ' 'mediated nuclear importation', 'volume': '88', 'author': 'Oany', 'year': '2021', 'journal-title': 'Infect. Genet. Evol.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0510', 'first-page': '1', 'article-title': 'Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead ' 'candidates against SARS-Cov2-envelope protein: a molecular dynamics ' 'investigation', 'author': 'Yadav', 'year': '2020', 'journal-title': 'J. Biomol. Struct. Dyn.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0515', 'doi-asserted-by': 'crossref', 'first-page': '100860', 'DOI': '10.1016/j.genrep.2020.100860', 'article-title': 'In silico structure modelling of SARS-CoV-2 Nsp13 helicase and Nsp14 ' 'and repurposing of FDA approved antiviral drugs as dual inhibitors', 'volume': '21', 'author': 'Gurung', 'year': '2020', 'journal-title': 'Gene Rep.'}], 'container-title': 'Biophysical Chemistry', 'original-title': [], 'language': 'en', 'link': [ { 'URL': 'https://api.elsevier.com/content/article/PII:S0301462221001599?httpAccept=text/xml', 'content-type': 'text/xml', 'content-version': 'vor', 'intended-application': 'text-mining'}, { 'URL': 'https://api.elsevier.com/content/article/PII:S0301462221001599?httpAccept=text/plain', 'content-type': 'text/plain', 'content-version': 'vor', 'intended-application': 'text-mining'}], 'deposited': { 'date-parts': [[2023, 3, 11]], 'date-time': '2023-03-11T07:56:04Z', 'timestamp': 1678521364000}, 'score': 1, 'resource': {'primary': {'URL': 'https://linkinghub.elsevier.com/retrieve/pii/S0301462221001599'}}, 'subtitle': [], 'short-title': [], 'issued': {'date-parts': [[2021, 11]]}, 'references-count': 103, 'alternative-id': ['S0301462221001599'], 'URL': 'http://dx.doi.org/10.1016/j.bpc.2021.106677', 'relation': {}, 'ISSN': ['0301-4622'], 'subject': [], 'container-title-short': 'Biophysical Chemistry', 'published': {'date-parts': [[2021, 11]]}, 'assertion': [ {'value': 'Elsevier', 'name': 'publisher', 'label': 'This article is maintained by'}, { 'value': 'Comparative study of the interaction of ivermectin with proteins of interest ' 'associated with SARS-CoV-2: A computational and biophysical approach', 'name': 'articletitle', 'label': 'Article Title'}, {'value': 'Biophysical Chemistry', 'name': 'journaltitle', 'label': 'Journal Title'}, { 'value': 'https://doi.org/10.1016/j.bpc.2021.106677', 'name': 'articlelink', 'label': 'CrossRef DOI link to publisher maintained version'}, {'value': 'article', 'name': 'content_type', 'label': 'Content Type'}, { 'value': '© 2021 Elsevier B.V. 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Please send us corrections, updates, or comments. c19early involves the extraction of 100,000+ datapoints from thousands of papers. Community updates help ensure high accuracy. Treatments and other interventions are complementary. All practical, effective, and safe means should be used based on risk/benefit analysis. No treatment or intervention is 100% available and effective for all current and future variants. We do not provide medical advice. Before taking any medication, consult a qualified physician who can provide personalized advice and details of risks and benefits based on your medical history and situation. FLCCC and WCH provide treatment protocols.
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