Analgesics
Antiandrogens
Antihistamines
Azvudine
Bromhexine
Budesonide
Colchicine
Conv. Plasma
Curcumin
Famotidine
Favipiravir
Fluvoxamine
Hydroxychlor..
Ivermectin
Lifestyle
Melatonin
Metformin
Minerals
Molnupiravir
Monoclonals
Naso/orophar..
Nigella Sativa
Nitazoxanide
PPIs
Paxlovid
Quercetin
Remdesivir
Thermotherapy
Vitamins
More

Other
Feedback
Home
Top
Abstract
All ivermectin studies
Meta analysis
 
Feedback
Home
next
study
previous
study
c19ivm.org COVID-19 treatment researchIvermectinIvermectin (more..)
Melatonin Meta
Metformin Meta
Antihistamines Meta
Azvudine Meta Molnupiravir Meta
Bromhexine Meta
Budesonide Meta
Colchicine Meta Nigella Sativa Meta
Conv. Plasma Meta Nitazoxanide Meta
Curcumin Meta PPIs Meta
Famotidine Meta Paxlovid Meta
Favipiravir Meta Quercetin Meta
Fluvoxamine Meta Remdesivir Meta
Hydroxychlor.. Meta Thermotherapy Meta
Ivermectin Meta

All Studies   Meta Analysis       

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  
  Post
  Facebook
Share
  Source   PDF   All Studies   Meta AnalysisMeta
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 109 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.
69 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 H7N767, Dengue33,68,69, HIV-169, Simian virus 4070, Zika33,71,72, West Nile72, Yellow Fever73,74, Japanese encephalitis73, Chikungunya74, Semliki Forest virus74, Human papillomavirus53, Epstein-Barr53, BK Polyomavirus75, and Sindbis virus74.
Ivermectin inhibits importin-α/β-dependent nuclear import of viral proteins67,69,70,76, shows spike-ACE2 disruption at 1nM with microfluidic diffusional sizing34, binds to glycan sites on the SARS-CoV-2 spike protein preventing interaction with blood and epithelial cells and inhibiting hemagglutination37,77, shows dose-dependent inhibition of wildtype and omicron variants32, exhibits dose-dependent inhibition of lung injury57,62, may inhibit SARS-CoV-2 via IMPase inhibition33, may inhibit SARS-CoV-2 induced formation of fibrin clots resistant to degradation6, inhibits SARS-CoV-2 3CLpro50, may inhibit SARS-CoV-2 RdRp activity25, may minimize viral myocarditis by inhibiting NF-κB/p65-mediated inflammation in macrophages56, may be beneficial for COVID-19 ARDS by blocking GSDMD and NET formation78, may interfere with SARS-CoV-2's immune evasion via ORF8 binding1, may inhibit SARS-CoV-2 by disrupting CD147 interaction79-82, shows protection against inflammation, cytokine storm, and mortality in an LPS mouse model sharing key pathological features of severe COVID-1955,83, may be beneficial in severe COVID-19 by binding IGF1 to inhibit the promotion of inflammation, fibrosis, and cell proliferation that leads to lung damage5, may minimize SARS-CoV-2 induced cardiac damage36,44, increases Bifidobacteria which play a key role in the immune system84, has immunomodulatory47 and anti-inflammatory66,85 properties, and has an extensive and very positive safety profile86.
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
{ 'indexed': {'date-parts': [[2024, 1, 25]], 'date-time': '2024-01-25T00:24:48Z', 'timestamp': 1706142288626}, 'reference-count': 103, 'publisher': 'Elsevier BV', 'license': [ { 'start': { 'date-parts': [[2021, 11, 1]], 'date-time': '2021-11-01T00:00:00Z', 'timestamp': 1635724800000}, 'content-version': 'tdm', 'delay-in-days': 0, 'URL': 'https://www.elsevier.com/tdm/userlicense/1.0/'}, { 'start': { 'date-parts': [[2021, 11, 1]], 'date-time': '2021-11-01T00:00:00Z', 'timestamp': 1635724800000}, 'content-version': 'stm-asf', 'delay-in-days': 0, 'URL': 'https://doi.org/10.15223/policy-017'}, { 'start': { 'date-parts': [[2021, 11, 1]], 'date-time': '2021-11-01T00:00:00Z', 'timestamp': 1635724800000}, 'content-version': 'stm-asf', 'delay-in-days': 0, 'URL': 'https://doi.org/10.15223/policy-037'}, { 'start': { 'date-parts': [[2021, 11, 1]], 'date-time': '2021-11-01T00:00:00Z', 'timestamp': 1635724800000}, 'content-version': 'stm-asf', 'delay-in-days': 0, 'URL': 'https://doi.org/10.15223/policy-012'}, { 'start': { 'date-parts': [[2021, 11, 1]], 'date-time': '2021-11-01T00:00:00Z', 'timestamp': 1635724800000}, 'content-version': 'stm-asf', 'delay-in-days': 0, 'URL': 'https://doi.org/10.15223/policy-029'}, { 'start': { 'date-parts': [[2021, 11, 1]], 'date-time': '2021-11-01T00:00:00Z', 'timestamp': 1635724800000}, 'content-version': 'stm-asf', 'delay-in-days': 0, 'URL': 'https://doi.org/10.15223/policy-004'}], 'content-domain': {'domain': ['elsevier.com', 'sciencedirect.com'], 'crossmark-restriction': True}, 'published-print': {'date-parts': [[2021, 11]]}, 'DOI': '10.1016/j.bpc.2021.106677', 'type': 'journal-article', 'created': {'date-parts': [[2021, 8, 19]], 'date-time': '2021-08-19T05:22:24Z', 'timestamp': 1629350544000}, 'page': '106677', 'update-policy': 'http://dx.doi.org/10.1016/elsevier_cm_policy', 'source': 'Crossref', 'is-referenced-by-count': 12, 'title': 'Comparative study of the interaction of ivermectin with proteins of interest associated with ' 'SARS-CoV-2: A computational and biophysical approach', 'prefix': '10.1016', 'volume': '278', 'author': [ {'given': 'Lenin', 'family': 'González-Paz', 'sequence': 'first', 'affiliation': []}, {'given': 'María Laura', 'family': 'Hurtado-León', 'sequence': 'additional', 'affiliation': []}, {'given': 'Carla', 'family': 'Lossada', 'sequence': 'additional', 'affiliation': []}, { 'given': 'Francelys V.', 'family': 'Fernández-Materán', 'sequence': 'additional', 'affiliation': []}, {'given': 'Joan', 'family': 'Vera-Villalobos', 'sequence': 'additional', 'affiliation': []}, {'given': 'Marcos', 'family': 'Loroño', 'sequence': 'additional', 'affiliation': []}, {'given': 'J.L.', 'family': 'Paz', 'sequence': 'additional', 'affiliation': []}, {'given': 'Laura', 'family': 'Jeffreys', 'sequence': 'additional', 'affiliation': []}, {'given': 'Ysaias J.', 'family': 'Alvarado', 'sequence': 'additional', 'affiliation': []}], 'member': '78', 'reference': [ { 'issue': '7816', 'key': '10.1016/j.bpc.2021.106677_bb0005', 'doi-asserted-by': 'crossref', 'first-page': '459', 'DOI': '10.1038/s41586-020-2286-9', 'article-title': 'A SARS-CoV-2 protein interaction map reveals targets for drug ' 'repurposing', 'volume': '583', 'author': 'Gordon', 'year': '2020', 'journal-title': 'Nature'}, { 'issue': '1', 'key': '10.1016/j.bpc.2021.106677_bb0010', 'first-page': '1', 'article-title': 'Promising inhibitors targeting M pro: an ideal strategy for ' 'anti-SARS-CoV-2 drug discovery', 'volume': '5', 'author': 'Chen', 'year': '2020', 'journal-title': 'Signal Transduct. Target. Therapy'}, { 'key': '10.1016/j.bpc.2021.106677_bb0015', 'doi-asserted-by': 'crossref', 'first-page': '622898', 'DOI': '10.3389/fchem.2021.622898', 'article-title': 'Structural basis of potential inhibitors targeting SARS-CoV-2 main ' 'protease', 'volume': '9', 'author': 'Mengist', 'year': '2021', 'journal-title': 'Front. Chem.'}, { 'key': '10.1016/j.bpc.2021.106677_bb0020', 'doi-asserted-by': 'crossref', 'first-page': '117627', 'DOI': '10.1016/j.lfs.2020.117627', 'article-title': 'Virtual screening and repurposing of FDA approved drugs against ' 'COVID-19 main protease', 'volume': '251', 'author': 'Kandeel', 'year': '2020', 'journal-title': 'Life sciences'}, { 'key': '10.1016/j.bpc.2021.106677_bb0025', 'first-page': '1', 'article-title': 'Drug repurposing studies targeting SARS-CoV-2: an ensemble docking ' 'approach on drug target 3C-like protease (3CLpro)', 'author': 'Koulgi', 'year': '2020', 'journal-title': 'J. Biomol. Struct. 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. All rights reserved.', 'name': 'copyright', 'label': 'Copyright'}], 'article-number': '106677'}
Loading..
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.
  or use drag and drop   
Submit