{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T04:08:50Z","timestamp":1785298130859,"version":"3.55.0"},"reference-count":109,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2020,10,1]],"date-time":"2020-10-01T00:00:00Z","timestamp":1601510400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2020,10,1]],"date-time":"2020-10-01T00:00:00Z","timestamp":1601510400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["ECR\/2015\/\/000155"],"award-info":[{"award-number":["ECR\/2015\/\/000155"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001407","name":"Department of Biotechnology, Ministry of Science and Technology, India","doi-asserted-by":"publisher","award":["BT\/PR24504\/NER\/95\/746\/2017"],"award-info":[{"award-number":["BT\/PR24504\/NER\/95\/746\/2017"]}],"id":[{"id":"10.13039\/501100001407","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001407","name":"Department of Biotechnology, Ministry of Science and Technology, India","doi-asserted-by":"publisher","award":["BT\/PR16224\/NER\/95\/176\/2015"],"award-info":[{"award-number":["BT\/PR16224\/NER\/95\/176\/2015"]}],"id":[{"id":"10.13039\/501100001407","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Infection, Genetics and Evolution"],"published-print":{"date-parts":[[2020,10]]},"DOI":"10.1016\/j.meegid.2020.104451","type":"journal-article","created":{"date-parts":[[2020,7,5]],"date-time":"2020-07-05T17:52:31Z","timestamp":1593971551000},"page":"104451","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":111,"special_numbering":"C","title":["Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches"],"prefix":"10.1016","volume":"84","author":[{"given":"Deep","family":"Bhowmik","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rajat","family":"Nandi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rahul","family":"Jagadeesan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Niranjan","family":"Kumar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amresh","family":"Prakash","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3050-5179","authenticated-orcid":false,"given":"Diwakar","family":"Kumar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.meegid.2020.104451_bb0005","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1\u20132","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"issue":"9","key":"10.1016\/j.meegid.2020.104451_bb0010","doi-asserted-by":"crossref","first-page":"1122","DOI":"10.1248\/bpb.23.1122","article-title":"In vitro inhibitory effect of some flavonoids on rotavirus infectivity","volume":"23","author":"Bae","year":"2000","journal-title":"Biol. Pharm. Bull."},{"key":"10.1016\/j.meegid.2020.104451_bb0015","first-page":"195","article-title":"Natural antiviral compounds","author":"Bekhit","year":"2014","journal-title":"Stud. Nat. Prod. Chem."},{"issue":"24","key":"10.1016\/j.meegid.2020.104451_bb0020","doi-asserted-by":"crossref","first-page":"6269","DOI":"10.1021\/j100308a038","article-title":"The missing term in effective pair potentials","volume":"91","author":"Berendsen","year":"1987","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.meegid.2020.104451_bb0025","article-title":"Evaluation of potential drugs against leishmaniasis targeting catalytic subunit of Leishmaniadonovani nuclear DNA primase using ligand based virtual screening, docking and molecular dynamics approaches","author":"Bhowmik","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0030","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1006\/viro.1996.0165","article-title":"The production of recombinant infectious DI-particles of a murine coronavirus in the absence of helper virus","volume":"218","author":"Bos","year":"1996","journal-title":"Virology"},{"key":"10.1016\/j.meegid.2020.104451_bb0035","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1016\/j.nmni.2018.04.007","article-title":"Rapid detection and monitoring of human coronavirus infections","volume":"24","author":"Bruning","year":"2018","journal-title":"New Microbes New Infect."},{"issue":"3","key":"10.1016\/j.meegid.2020.104451_bb0040","first-page":"849","article-title":"Molecular properties prediction, docking studies and antimicrobial screening of ornidazole and its derivatives","volume":"8","author":"Chandrasekaran","year":"2016","journal-title":"J. Chem. Pharm. Res."},{"issue":"9","key":"10.1016\/j.meegid.2020.104451_bb0045","doi-asserted-by":"crossref","first-page":"1511","DOI":"10.1002\/pro.5560020916","article-title":"Verification of protein structures: patterns of nonbonded atomic interactions","volume":"2","author":"Colovos","year":"1993","journal-title":"Protein Sci."},{"issue":"5","key":"10.1016\/j.meegid.2020.104451_bb0050","doi-asserted-by":"crossref","first-page":"308","DOI":"10.1002\/rmv.1792","article-title":"Coronavirus entry and release in polarized epithelial cells: a review","volume":"24","author":"Cong","year":"2014","journal-title":"Rev. Med. Virol."},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0055","doi-asserted-by":"crossref","first-page":"536","DOI":"10.1038\/s41564-020-0695-z","article-title":"The species severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2","volume":"5","author":"Coronaviridae Study Group of the International Committee on Taxonomy of Viruses","year":"2020","journal-title":"Nat. Microbiol."},{"key":"10.1016\/j.meegid.2020.104451_bb0060","doi-asserted-by":"crossref","first-page":"104742","DOI":"10.1016\/j.antiviral.2020.104742","article-title":"The spike glycoprotein of the new coronavirus 2019-nCoV contains a furin-like cleavage site absent in CoV of the same clade","volume":"176","author":"Coutard","year":"2020","journal-title":"Antivir. Res."},{"key":"10.1016\/j.meegid.2020.104451_bb0065","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1007\/978-1-4939-2269-7_19","article-title":"Small-molecule library screening by docking with PyRx","volume":"1263","author":"Dallakyan","year":"2015","journal-title":"Methods Mol. Biol."},{"issue":"12","key":"10.1016\/j.meegid.2020.104451_bb0070","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh Ewald: an N\u00b7log(N) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0075","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1128\/JVI.01467-06","article-title":"A severe acute respiratory syndrome coronavirus that lacks the E gene is attenuated in vitro and in vivo","volume":"81","author":"DeDiego","year":"2007","journal-title":"J. Virol."},{"issue":"12","key":"10.1016\/j.meegid.2020.104451_bb0080","doi-asserted-by":"crossref","first-page":"3499","DOI":"10.1099\/jgv.0.000304","article-title":"The proteome of the infectious bronchitis virus Beau-R virion","volume":"96","author":"Dent","year":"2015","journal-title":"J. General Virol."},{"issue":"18","key":"10.1016\/j.meegid.2020.104451_bb0085","doi-asserted-by":"crossref","first-page":"1935","DOI":"10.1007\/s40265-017-0830-1","article-title":"Middle east respiratory syndrome and severe acute respiratory syndrome: current therapeutic options and potential targets for novel therapies","volume":"77","author":"Dyall","year":"2017","journal-title":"Drugs"},{"key":"10.1016\/j.meegid.2020.104451_bb0090","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1016\/S0076-6879(97)77022-8","article-title":"VERIFY3D: assessment of protein models with three-dimensional profiles","volume":"277","author":"Eisenberg","year":"1997","journal-title":"Methods Enzymol."},{"key":"10.1016\/j.meegid.2020.104451_bb0095","first-page":"473","article-title":"Natural products as antiviral agents","author":"El Sayed","year":"2000","journal-title":"Stud. Nat. Prod. Chem."},{"issue":"3","key":"10.1016\/j.meegid.2020.104451_bb0100","doi-asserted-by":"crossref","first-page":"1312","DOI":"10.1128\/JVI.75.3.1312-1324.2001","article-title":"The membrane M protein carboxy terminus binds to transmissible gastroenteritis coronavirus core and contributes to core stability","volume":"75","author":"Escors","year":"2001","journal-title":"J. Virol."},{"key":"10.1016\/j.meegid.2020.104451_bb0105","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/978-1-4939-2438-7_1","article-title":"Coronaviruses: an overview of their replication and pathogenesis","volume":"1282","author":"Fehr","year":"2015","journal-title":"Methods Mol. Biol."},{"issue":"6","key":"10.1016\/j.meegid.2020.104451_bb0110","doi-asserted-by":"crossref","first-page":"1918","DOI":"10.1002\/hep.26641","article-title":"Once-daily simeprevir (TMC435) with pegylated interferon and ribavirin in treatment-na\u00efve genotype 1 hepatitis C: the randomized PILLAR study","volume":"58","author":"Fried","year":"2013","journal-title":"Hepatology"},{"key":"10.1016\/j.meegid.2020.104451_bb0115","article-title":"Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an open-label non-randomized clinical trial","volume":"105949","author":"Gautret","year":"2020","journal-title":"Int. J. Antimicrob. Agents"},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0120","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1021\/cc9800071","article-title":"A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases","volume":"1","author":"Ghose","year":"1999","journal-title":"J. Comb. Chem."},{"key":"10.1016\/j.meegid.2020.104451_bb0125","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/j.coviro.2015.06.009","article-title":"Animal models for SARS and MERS coronaviruses","volume":"13","author":"Gretebeck","year":"2015","journal-title":"Curr. Opin. Virol."},{"key":"10.1016\/j.meegid.2020.104451_bb0130","first-page":"1","article-title":"In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel","author":"Gupta","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.meegid.2020.104451_bb0135","doi-asserted-by":"crossref","first-page":"38692","DOI":"10.1038\/srep38692","article-title":"Potential new H1N1 neuraminidase inhibitors from ferulic acid and vanillin: molecular modelling, synthesis and in vitro assay","volume":"6","author":"Hariono","year":"2016","journal-title":"Sci. Rep."},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0140","doi-asserted-by":"crossref","first-page":"138","DOI":"10.1007\/s00535-013-0875-1","article-title":"Once-daily simeprevir (TMC435) with peginterferon\/ribavirin for treatment-na\u00efve hepatitis C genotype 1-infected patients in Japan: the DRAGON study","volume":"49","author":"Hayashi","year":"2014","journal-title":"J. Gastroenterol."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0145","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/j.virusres.2004.05.002","article-title":"Characterization of protein-protein interactions between the nucleocapsid protein and membrane protein of the SARS coronavirus","volume":"105","author":"He","year":"2004","journal-title":"Virus Res."},{"key":"10.1016\/j.meegid.2020.104451_bb0150","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/B978-0-12-386007-1.00003-9","article-title":"Impact of pregnancy on maternal pharmacokinetics of medications","author":"Hebert","year":"2013","journal-title":"Clin. Pharmacol. During Pregn."},{"issue":"12","key":"10.1016\/j.meegid.2020.104451_bb0155","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","article-title":"LINCS: a linear constraint solver for molecular simulations","volume":"18","author":"Hess","year":"1997","journal-title":"J. Comput. Chem."},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0160","doi-asserted-by":"crossref","DOI":"10.1016\/j.molcel.2020.04.022","article-title":"A multibasic cleavage site in the spike protein of SARS-CoV-2 is essential for infection of human lung cells","volume":"78","author":"Hoffmann","year":"2020","journal-title":"Mol. Cell"},{"key":"10.1016\/j.meegid.2020.104451_bb0165","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1186\/s12929-018-0449-x","article-title":"Nucleocapsid protein-dependent assembly of the RNA packaging signal of Middle East respiratory syndrome coronavirus","volume":"25","author":"Hsin","year":"2018","journal-title":"J. Biomed. Sci."},{"issue":"19","key":"10.1016\/j.meegid.2020.104451_bb0170","doi-asserted-by":"crossref","first-page":"10276","DOI":"10.1128\/JVI.01287-10","article-title":"An interaction between the nucleocapsid protein and a component of the replicase-transcriptase complex is crucial for the infectivity of coronavirus genomic RNA","volume":"84","author":"Hurst","year":"2010","journal-title":"J. Virol."},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0175","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1016\/j.jsps.2015.02.008","article-title":"Synthesis, molecular properties, toxicity and biological evaluation of some new substituted imidazolidine derivatives in search of potent anti-inflammatory agents","volume":"24","author":"Husain","year":"2016","journal-title":"Saudi Pharm. J."},{"issue":"18","key":"10.1016\/j.meegid.2020.104451_bb0180","doi-asserted-by":"crossref","first-page":"4813","DOI":"10.1080\/07391102.2019.1568304","article-title":"Molecular dynamics simulation studies on influenza A virus H5N1 complexed with sialic acid and fluorinated sialic acid","volume":"37","author":"Jeyaram","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"30","key":"10.1016\/j.meegid.2020.104451_bb0185","doi-asserted-by":"crossref","first-page":"9020","DOI":"10.1021\/jp8001614","article-title":"Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations","volume":"112","author":"Joung","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.meegid.2020.104451_bb0190","doi-asserted-by":"crossref","DOI":"10.1016\/j.apsb.2020.04.009","article-title":"Crystal structure of SARS-CoV-2 nucleocapsid protein RNA binding domain reveals potential unique drug targeting sites","author":"Kang","year":"2020","journal-title":"Acta Pharm. Sin. B"},{"issue":"10","key":"10.1016\/j.meegid.2020.104451_bb0195","doi-asserted-by":"crossref","first-page":"6523","DOI":"10.1128\/jvi.68.10.6523-6534.1994","article-title":"Coronavirus M proteins accumulate in the Golgi complex beyond the site of virion budding","volume":"68","author":"Klumperman","year":"1994","journal-title":"J. Virol."},{"issue":"Suppl. 9","key":"10.1016\/j.meegid.2020.104451_bb0200","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1002\/prot.22570","article-title":"Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: four approaches that performed well in CASP8","volume":"77 Suppl 9","author":"Krieger","year":"2009","journal-title":"Proteins"},{"issue":"10","key":"10.1016\/j.meegid.2020.104451_bb0205","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1042\/BCJ20180085","article-title":"TFE-induced local unfolding and fibrillation of SOD1: bridging the experiment and simulation studies","volume":"475","author":"Kumar","year":"2018","journal-title":"Biochem. J."},{"key":"10.1016\/j.meegid.2020.104451_bb0210","first-page":"1","article-title":"Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of Mycobacterium tuberculosis","author":"Kumar","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.meegid.2020.104451_bb0215","doi-asserted-by":"crossref","first-page":"100","DOI":"10.1016\/j.virol.2016.04.009","article-title":"A key role for the carboxy-terminal tail of the murine coronavirus nucleocapsid protein in coordination of genome packaging","volume":"494","author":"Kuo","year":"2016","journal-title":"Virology"},{"issue":"3","key":"10.1016\/j.meegid.2020.104451_bb0220","first-page":"177","article-title":"Dengue virus (NS2B\/NS3 protease) protein engineering. Part I: an automated design for hotspots stability and site-specific mutations by using HotSpot Wizard 3.0 tool","volume":"127","author":"Lahiri","year":"2019","journal-title":"World Sci. News"},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0225","doi-asserted-by":"crossref","first-page":"303","DOI":"10.2323\/jgam.38.303","article-title":"Polymeric phenylpropenoids are the active components in the pine cone extract that inhibit the replication of type-1 human immunodeficiency virus in vitro","volume":"38","author":"Lai","year":"1992","journal-title":"The Journal of General and Applied Microbiology"},{"key":"10.1016\/j.meegid.2020.104451_bb0230","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/j.antiviral.2018.10.021","article-title":"Antiviral activity of metal chelates of caffeic acid and similar compounds towards herpes simplex, VSV-Ebola pseudotyped and vaccinia viruses","volume":"160","author":"Langland","year":"2018","journal-title":"Antivir. Res."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0235","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1107\/S0021889892009944","article-title":"PROCHECK: a program to check the stereo chemical quality of protein structures","volume":"26","author":"Laskowski","year":"1993","journal-title":"J. Appl. Crystallogr."},{"issue":"47","key":"10.1016\/j.meegid.2020.104451_bb0240","doi-asserted-by":"crossref","first-page":"45091","DOI":"10.1074\/jbc.M207439200","article-title":"Docking of HIV-1 Vpr to the nuclear envelope is mediated by the interaction with the nucleoporin hCG1","volume":"277","author":"Le Rouzic","year":"2002","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.meegid.2020.104451_bb0245","first-page":"1","article-title":"Exploring the cause of the inhibitor 4AX attaching to binding site disrupting protein tyrosine phosphatase 4A1 trimerization by molecular dynamic simulation","author":"Li","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0250","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1007\/s10822-010-9395-8","article-title":"Computer-aided drug design platform using PyMOL","volume":"25","author":"Lill","year":"2011","journal-title":"J. Comput. Aided Mol. Des."},{"issue":"20","key":"10.1016\/j.meegid.2020.104451_bb0255","doi-asserted-by":"crossref","first-page":"17515","DOI":"10.1074\/jbc.M009731200","article-title":"The missing link in coronavirus assembly. Retention of the avian coronavirus infectious bronchitis virus envelope protein in the pre-Golgi compartments and physical interaction between the envelope and membrane proteins","volume":"276","author":"Lim","year":"2001","journal-title":"J. Biol. Chem."},{"issue":"Suppl. 13","key":"10.1016\/j.meegid.2020.104451_bb0260","doi-asserted-by":"crossref","first-page":"S24","DOI":"10.1186\/1471-2105-12-S13-S24","article-title":"Structure-based and ligand-based virtual screening of novel methyltransferase inhibitors of the dengue virus","volume":"12 Suppl 13","author":"Lim","year":"2011","journal-title":"BMC Bioinforma."},{"issue":"1\u20102","key":"10.1016\/j.meegid.2020.104451_bb0265","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/j.jviromet.2012.03.020","article-title":"Fisetin and rutin as 3C protease inhibitors of enterovirus A71","volume":"182","author":"Lin","year":"2012","journal-title":"Journal of Virological Methods"},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0270","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1016\/j.ddtec.2004.11.007","article-title":"Lead- and drug-like compounds: the rule-of-five revolution","volume":"1","author":"Lipinski","year":"2004","journal-title":"Drug Discov. Today Technol."},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0275","doi-asserted-by":"crossref","first-page":"589","DOI":"10.1016\/j.biocel.2005.10.022","article-title":"Severe acute respiratory syndrome coronavirus membrane protein interacts with nucleocapsid protein mostly through their carboxyl termini by electrostatic attraction","volume":"38","author":"Luo","year":"2006","journal-title":"Int. J. Biochem. Cell Biol."},{"issue":"3","key":"10.1016\/j.meegid.2020.104451_bb0280","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/j.neulet.2009.07.085","article-title":"In silico study of naphtha [1, 2-d] thiazol-2-amine with adenosine A 2A receptor and its role in antagonism of haloperidol-induced motor impairments in mice","volume":"463","author":"Luthra","year":"2009","journal-title":"Neurosci. Lett."},{"issue":"7","key":"10.1016\/j.meegid.2020.104451_bb0285","doi-asserted-by":"crossref","first-page":"688","DOI":"10.1007\/s13238-010-0079-x","article-title":"Structures of the N- and C-terminal domains of MHV-A59 nucleocapsid protein corroborate a conserved RNA-protein binding mechanism in coronavirus","volume":"1","author":"Ma","year":"2010","journal-title":"Protein Cell"},{"key":"10.1016\/j.meegid.2020.104451_bb0290","first-page":"1","article-title":"Identification of potential inhibitors for Klebsiella pneumoniae carbapenemase-3: a molecular docking and dynamics study","author":"Malathi","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"8","key":"10.1016\/j.meegid.2020.104451_bb0295","doi-asserted-by":"crossref","first-page":"2991","DOI":"10.3390\/v6082991","article-title":"The coronavirus nucleocapsid is a multifunctional protein","volume":"6","author":"McBride","year":"2014","journal-title":"Viruses"},{"key":"10.1016\/j.meegid.2020.104451_bb0300","doi-asserted-by":"crossref","first-page":"520","DOI":"10.1016\/j.ejmech.2018.04.007","article-title":"Discovery of novel Methylsulfonyl phenyl derivatives as potent human Cyclooxygenase-2 inhibitors with effective anticonvulsant action: design, synthesis, in-silico, in-vitro and in-vivo evaluation","volume":"151","author":"Mishra","year":"2018","journal-title":"Eur. J. Med. Chem."},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0305","first-page":"167","article-title":"Drug-likeness and pharmacokinetics of a bis-phenolic ligand: evaluations by computational methods","volume":"7","author":"Mokhnache","year":"2019","journal-title":"Sch. J. Appl. Med. Sci."},{"issue":"17","key":"10.1016\/j.meegid.2020.104451_bb0310","doi-asserted-by":"crossref","first-page":"8127","DOI":"10.1128\/JVI.74.17.8127-8134.2000","article-title":"Characterization of the coronavirus M protein and nucleocapsid interaction in infected cells","volume":"74","author":"Narayanan","year":"2000","journal-title":"J. Virol."},{"issue":"1","key":"10.1016\/j.meegid.2020.104451_bb0315","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/j.jsb.2010.11.021","article-title":"A structural analysis of M protein in coronavirus assembly and morphology","volume":"174","author":"Neuman","year":"2011","journal-title":"J. Struct. Biol."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0320","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1016\/j.virol.2011.03.029","article-title":"Subcellular location and topology of severe acute respiratory syndrome coronavirus envelope protein","volume":"415","author":"Nieto-Torres","year":"2011","journal-title":"Virology"},{"issue":"5","key":"10.1016\/j.meegid.2020.104451_bb0325","doi-asserted-by":"crossref","DOI":"10.1371\/journal.ppat.1004077","article-title":"Severe acute respiratory syndrome coronavirus envelope protein ion channel activity promotes virus fitness and pathogenesis","volume":"10","author":"Nieto-Torres","year":"2014","journal-title":"PLoS Pathog."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0335","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1083\/jcb.131.2.339","article-title":"Envelope glycoprotein interactions in coronavirus assembly","volume":"131","author":"Opstelten","year":"1995","journal-title":"J. Cell Biol."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0340","doi-asserted-by":"crossref","first-page":"296","DOI":"10.1016\/j.virol.2007.05.032","article-title":"Absence of E protein arrests transmissible gastroenteritis coronavirus maturation in the secretory pathway","volume":"368","author":"Ortego","year":"2007","journal-title":"Virology"},{"key":"10.1016\/j.meegid.2020.104451_bb0345","article-title":"Compilation of potential protein targets for SARS-CoV-2: preparation of homology model and active site determination for future rational antiviral design","author":"Pal","year":"2020","journal-title":"ChemRxiv"},{"issue":"14","key":"10.1016\/j.meegid.2020.104451_bb0350","doi-asserted-by":"crossref","first-page":"1196","DOI":"10.1103\/PhysRevLett.45.1196","article-title":"Crystal structure and pair potentials: a molecular-dynamics study","volume":"45","author":"Parrinello","year":"1980","journal-title":"Phys. Rev. Lett."},{"issue":"6","key":"10.1016\/j.meegid.2020.104451_bb0355","doi-asserted-by":"crossref","first-page":"439","DOI":"10.1038\/nrmicro2147","article-title":"Coronaviruses post-SARS: update on replication and pathogenesis","volume":"7","author":"Perlman","year":"2009","journal-title":"Nat. Rev. Microbiol."},{"issue":"9","key":"10.1016\/j.meegid.2020.104451_bb0360","doi-asserted-by":"crossref","first-page":"2391","DOI":"10.1080\/07391102.2017.1355847","article-title":"Elucidation of stable intermediates in urea-induced unfolding pathway of human carbonic anhydrase IX","volume":"36","author":"Prakash","year":"2018","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"6","key":"10.1016\/j.meegid.2020.104451_bb0365","doi-asserted-by":"crossref","first-page":"2241","DOI":"10.1529\/biophysj.107.115535","article-title":"Characterization of the protein unfolding processes induced by urea and temperature","volume":"94","author":"Rocco","year":"2008","journal-title":"Biophys. J."},{"key":"10.1016\/j.meegid.2020.104451_bb0370","doi-asserted-by":"crossref","first-page":"101578","DOI":"10.1016\/j.tmaid.2020.101578","article-title":"Going global - travel and the 2019 novel coronavirus","volume":"33","author":"Rodr\u00edguez-Morales","year":"2020","journal-title":"Travel Med. Infect. Dis."},{"issue":"4","key":"10.1016\/j.meegid.2020.104451_bb0375","doi-asserted-by":"crossref","first-page":"711","DOI":"10.1007\/s00705-013-1880-7","article-title":"Inhibitory effect of doxycycline against dengue virus replication in vitro","volume":"159","author":"Rothan","year":"2014","journal-title":"Arch. Virol."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0380","doi-asserted-by":"crossref","first-page":"675","DOI":"10.1128\/JVI.01570-10","article-title":"The hydrophobic domain of infectious bronchitis virus E protein alters the host secretory pathway and is important for release of infectious virus","volume":"85","author":"Ruch","year":"2011","journal-title":"J. Virol."},{"issue":"3","key":"10.1016\/j.meegid.2020.104451_bb0385","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1080\/09629359990513","article-title":"Inhibitory effect of ferulic acid and isoferulic acid on the production of macrophage inflammatory protein-2 in response to respiratory syncytial virus infection in RAW264.7 cells","volume":"8","author":"Sakai","year":"1999","journal-title":"Mediat. Inflamm."},{"issue":"D1","key":"10.1016\/j.meegid.2020.104451_bb0390","doi-asserted-by":"crossref","first-page":"D23","DOI":"10.1093\/nar\/gky1069","article-title":"Database resources of the National Center for Biotechnology Information","volume":"47","author":"Sayers","year":"2019","journal-title":"Nucleic Acids Res."},{"issue":"8","key":"10.1016\/j.meegid.2020.104451_bb0395","doi-asserted-by":"crossref","first-page":"1063","DOI":"10.1517\/13543784.2013.805744","article-title":"Rutin: therapeutic potential and recent advances in drug delivery","volume":"22","author":"Sharma","year":"2013","journal-title":"Expert Opin. Investig. Drugs"},{"issue":"5","key":"10.1016\/j.meegid.2020.104451_bb0400","doi-asserted-by":"crossref","first-page":"770","DOI":"10.1248\/bpb.b18-00970","article-title":"Inhibition mechanisms of hepatitis C virus infection by caffeic acid and tannic acid","volume":"42","author":"Shirasago","year":"2019","journal-title":"Biol. Pharm. Bull."},{"key":"10.1016\/j.meegid.2020.104451_bb0405","first-page":"1","article-title":"Delineating the conformational dynamics of intermediate structures on the unfolding pathway of \u03b2-lactoglobulin in aqueous urea and dimethyl sulfoxide","author":"Singh","year":"2019","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"11","key":"10.1016\/j.meegid.2020.104451_bb0415","doi-asserted-by":"crossref","first-page":"5314","DOI":"10.1007\/s00044-013-0532-5","article-title":"Computer-aided design of selective Cytochrome P450 inhibitors and docking studies of alkyl resorcinol derivatives","volume":"22","author":"Srimai","year":"2013","journal-title":"Med. Chem. Res."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0420","doi-asserted-by":"crossref","first-page":"92","DOI":"10.3164\/jcbn.40.92","article-title":"Ferulic acid: therapeutic potential through its antioxidant property","volume":"40","author":"Srinivasan","year":"2007","journal-title":"J. Clin. Biochem. Nutr."},{"issue":"8","key":"10.1016\/j.meegid.2020.104451_bb0425","doi-asserted-by":"crossref","first-page":"4161","DOI":"10.1128\/AAC.00324-12","article-title":"MK-5172, a selective inhibitor of hepatitis C virus NS3\/4a protease with broad activity across genotypes and resistant variants","volume":"56","author":"Summa","year":"2012","journal-title":"Antimicrobial agents and chemotherapy"},{"issue":"12","key":"10.1016\/j.meegid.2020.104451_bb0430","first-page":"769","article-title":"Simeprevir: a macrocyclic HCV protease inhibitor","volume":"49","author":"Talwani","year":"2013","journal-title":"Drugs Today"},{"issue":"W1","key":"10.1016\/j.meegid.2020.104451_bb0435","doi-asserted-by":"crossref","first-page":"W363","DOI":"10.1093\/nar\/gky473","article-title":"CASTp 3.0: computed atlas of surface topography of proteins","volume":"46","author":"Tian","year":"2018","journal-title":"Nucleic Acids Res."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0440","first-page":"281","article-title":"Replication of coronavirus MHV-A59 in sac- cells: determination of the first site of budding of progeny virions","volume":"33","author":"Tooze","year":"1984","journal-title":"Eur. J. Cell Biol."},{"issue":"9","key":"10.1016\/j.meegid.2020.104451_bb0445","doi-asserted-by":"crossref","first-page":"879","DOI":"10.3109\/03639049709148694","article-title":"In vitro absorption studies and their relevance to absorption from the GI tract","volume":"23","author":"Ungell","year":"1997","journal-title":"Drug Dev. Ind. Pharm."},{"issue":"12","key":"10.1016\/j.meegid.2020.104451_bb0450","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","article-title":"Molecular properties that influence the oral bioavailability of drug candidates","volume":"45","author":"Veber","year":"2002","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.meegid.2020.104451_bb0455","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/j.virol.2015.02.005","article-title":"Coronavirus envelope (E) protein remains at the site of assembly","volume":"478","author":"Venkatagopalan","year":"2015","journal-title":"Virology"},{"issue":"8","key":"10.1016\/j.meegid.2020.104451_bb0460","doi-asserted-by":"crossref","first-page":"2020","DOI":"10.1002\/j.1460-2075.1996.tb00553.x","article-title":"Nucleocapsid-independent assembly of coronavirus-like particles by co-expression of viral envelope protein genes","volume":"15","author":"Vennema","year":"1996","journal-title":"EMBO J."},{"issue":"21","key":"10.1016\/j.meegid.2020.104451_bb0465","doi-asserted-by":"crossref","first-page":"11575","DOI":"10.1128\/JVI.00569-10","article-title":"The coronavirus nucleocapsid protein is dynamically associated with the replication-transcription complexes","volume":"84","author":"Verheije","year":"2010","journal-title":"J. Virol."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0470","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1093\/protein\/8.2.127","article-title":"LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions","volume":"8","author":"Wallace","year":"1995","journal-title":"Protein Eng."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0475","doi-asserted-by":"crossref","first-page":"186","DOI":"10.1016\/j.antiviral.2009.05.002","article-title":"Anti-hepatitis B virus activity of chlorogenic acid, quinic acid and caffeic acid in vivo and in vitro","volume":"83","author":"Wang","year":"2009","journal-title":"Antivir. Res."},{"issue":"3","key":"10.1016\/j.meegid.2020.104451_bb0480","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1038\/s41422-020-0282-0","article-title":"Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro","volume":"30","author":"Wang","year":"2020","journal-title":"Cell Res."},{"issue":"Web Server issue","key":"10.1016\/j.meegid.2020.104451_bb0485","doi-asserted-by":"crossref","first-page":"W407","DOI":"10.1093\/nar\/gkm290","article-title":"ProSA-web: interactive web service for the recognition of errors in three-dimensional structures of proteins","volume":"35","author":"Wiederstein","year":"2007","journal-title":"Nucleic Acids Res."},{"issue":"2","key":"10.1016\/j.meegid.2020.104451_bb0490","doi-asserted-by":"crossref","first-page":"174","DOI":"10.3390\/v11020174","article-title":"Global epidemiology of bat coronaviruses","volume":"11","author":"Wong","year":"2019","journal-title":"Viruses"},{"issue":"10","key":"10.1016\/j.meegid.2020.104451_bb0495","doi-asserted-by":"crossref","first-page":"3375","DOI":"10.1093\/nar\/gkm251","article-title":"LOMETS: a local meta-threading-server for protein structure prediction","volume":"35","author":"Wu","year":"2007","journal-title":"Nucleic Acids Res."},{"issue":"22","key":"10.1016\/j.meegid.2020.104451_bb0500","doi-asserted-by":"crossref","first-page":"fnv195","DOI":"10.1093\/femsle\/fnv195","article-title":"Antiviral activity of doxycycline against vesicular stomatitis virus in vitro","volume":"362","author":"Wu","year":"2015","journal-title":"FEMS Microbiol. Lett."},{"issue":"5","key":"10.1016\/j.meegid.2020.104451_bb0505","doi-asserted-by":"crossref","first-page":"1829","DOI":"10.1038\/s41596-020-0312-x","article-title":"The HDOCK server for integrated protein-protein docking","volume":"15","author":"Yan","year":"2020","journal-title":"Nat. Protoc."},{"issue":"W1","key":"10.1016\/j.meegid.2020.104451_bb0510","doi-asserted-by":"crossref","first-page":"W174","DOI":"10.1093\/nar\/gkv342","article-title":"I-TASSER server: new development for protein structure and function predictions","volume":"43","author":"Yang","year":"2015","journal-title":"Nucleic Acids Res."},{"issue":"7","key":"10.1016\/j.meegid.2020.104451_bb0515","doi-asserted-by":"crossref","first-page":"3597","DOI":"10.1128\/JVI.01472-06","article-title":"Role of the coronavirus E viroporin protein transmembrane domain in virus assembly","volume":"81","author":"Ye","year":"2007","journal-title":"J. Virol."},{"issue":"5","key":"10.1016\/j.meegid.2020.104451_bb0520","doi-asserted-by":"crossref","DOI":"10.1016\/j.clinthera.2018.03.002","article-title":"Antiviral Activity, Safety, and Tolerability of Multiple Ascending Doses of elbasvir or grazoprevir in Participants Infected With Hepatitis C Virus genotype-1 or -3","volume":"40","author":"Yeh","year":"2018","journal-title":"Clin. Ther."},{"key":"10.1016\/j.meegid.2020.104451_bb0525","article-title":"Biochemical characterization of SARS-CoV-2 nucleocapsid protein","author":"Zeng","year":"2020","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"10.1016\/j.meegid.2020.104451_bb0530","first-page":"1","article-title":"Molecular docking, 3DQSAR, and molecular dynamics simulations of thieno[3,2-b]pyrrole derivatives against anticancer targets of KDM1A\/LSD1","author":"Zhang","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"10","key":"10.1016\/j.meegid.2020.104451_bb0535","doi-asserted-by":"crossref","first-page":"1446","DOI":"10.1023\/A:1020444330011","article-title":"Rate-limited steps of human oral absorption and QSAR studies","volume":"19","author":"Zhao","year":"2002","journal-title":"Pharm. Res."},{"issue":"7798","key":"10.1016\/j.meegid.2020.104451_bb0540","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1038\/s41586-020-2012-7","article-title":"A pneumonia outbreak associated with a new coronavirus of probable bat origin","volume":"579","author":"Zhou","year":"2020","journal-title":"Nature"},{"issue":"11","key":"10.1016\/j.meegid.2020.104451_bb0545","doi-asserted-by":"crossref","DOI":"10.1016\/j.cub.2020.05.023","article-title":"A novel bat coronavirus closely related to SARS-CoV-2 contains natural insertions at the S1\/S2 cleavage site of the spike protein","volume":"30","author":"Zhou","year":"2020","journal-title":"Curr. Biol."},{"issue":"8","key":"10.1016\/j.meegid.2020.104451_bb0550","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1056\/NEJMoa2001017","article-title":"A novel coronavirus from patients with pneumonia in China, 2019","volume":"382","author":"Zhu","year":"2020","journal-title":"N. Engl. J. Med."},{"issue":"11","key":"10.1016\/j.meegid.2020.104451_bb0555","doi-asserted-by":"crossref","first-page":"2359","DOI":"10.1002\/jcc.21816","article-title":"SwissParam: a fast force field generation tool for small organic molecules","volume":"32","author":"Zoete","year":"2011","journal-title":"J. Comput. Chem."}],"container-title":["Infection, Genetics and Evolution"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1567134820302823?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1567134820302823?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T07:08:11Z","timestamp":1777619291000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1567134820302823"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,10]]},"references-count":109,"alternative-id":["S1567134820302823"],"URL":"https:\/\/doi.org\/10.1016\/j.meegid.2020.104451","relation":{},"ISSN":["1567-1348"],"issn-type":[{"value":"1567-1348","type":"print"}],"subject":[],"published":{"date-parts":[[2020,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches","name":"articletitle","label":"Article Title"},{"value":"Infection, Genetics and Evolution","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.meegid.2020.104451","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2020 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"104451"}}