{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T16:43:55Z","timestamp":1767890635768,"version":"3.49.0"},"reference-count":77,"publisher":"MDPI AG","issue":"12","license":[{"start":{"date-parts":[[2022,12,12]],"date-time":"2022-12-12T00:00:00Z","timestamp":1670803200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Special Account for Research Grants","award":["17454"],"award-info":[{"award-number":["17454"]}]},{"name":"National and Kapodistrian University of Athens","award":["17454"],"award-info":[{"award-number":["17454"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Viruses"],"abstract":"<jats:p>Chronic hepatitis C virus (HCV) infections are a worldwide medical problem responsible for diverse types of liver diseases. The NS5B polymerase enzyme has become a very interesting target for the development of anti-HCV drugs owing to its fundamental role in viral replication. Here we report the synthesis of a novel series of 1-substituted phenyl-4(1H)-quinazolinone and 2-methyl-1-substituted phenyl-4(1H)-quinazolinone derivatives and evaluate their activity against HCV in HCV subgenomic replicon assays. The biological data revealed that compound 11a showed the highest activity against HCV GT1b at a micromolar concentration (EC50 = 0.984 \u00b5M) followed by compound 11b (EC50 = 1.38 \u00b5M). Both compounds 11a and 11b had high selectivity indices (SI = CC50\/EC50), 160.71 and 71.75, respectively, which make them very interesting candidates for further development of more potent and selective anti-HCV agents.<\/jats:p>","DOI":"10.3390\/v14122767","type":"journal-article","created":{"date-parts":[[2022,12,13]],"date-time":"2022-12-13T02:59:01Z","timestamp":1670900341000},"page":"2767","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Novel 6-Aminoquinazolinone Derivatives as Potential Cross GT1-4 HCV NS5B Inhibitors"],"prefix":"10.3390","volume":"14","author":[{"given":"Tamer","family":"Nasr","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Ain-Helwan, Cairo 11795, Egypt"},{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, MTI University, Cairo 12055, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0334-2834","authenticated-orcid":false,"given":"Ahmed","family":"Aboshanab","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Ain-Helwan, Cairo 11795, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"George","family":"Mpekoulis","sequence":"additional","affiliation":[{"name":"Molecular Virology Laboratory, Hellenic Pasteur Institute, 11521 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antonios","family":"Drakopoulos","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Molecular Biology, University of Gothenburg, SE-412 96 Gothenburg, Sweden"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7992-3438","authenticated-orcid":false,"given":"Niki","family":"Vassilaki","sequence":"additional","affiliation":[{"name":"Molecular Virology Laboratory, Hellenic Pasteur Institute, 11521 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9442-5186","authenticated-orcid":false,"given":"Grigoris","family":"Zoidis","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Division of Pharmaceutical Chemistry, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9851-5624","authenticated-orcid":false,"given":"Khaled","family":"Abouzid","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, Abbassia, Cairo 11566, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wafaa","family":"Zaghary","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Ain-Helwan, Cairo 11795, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2022,12,12]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1126\/science.285.5424.26","article-title":"The Scientific Challenge of Hepatitis C","volume":"285","author":"Cohen","year":"1999","journal-title":"Science"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"789","DOI":"10.1097\/00001432-199012000-00010","article-title":"Hepatitis C","volume":"3","author":"Lee","year":"1990","journal-title":"Curr. Opin. Infect. Dis."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1170","DOI":"10.1016\/j.jhep.2020.08.018","article-title":"EASL Recommendations on Treatment of Hepatitis C: Final Update of the Series","volume":"73","author":"Pawlotsky","year":"2020","journal-title":"J. Hepatol."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"773","DOI":"10.1016\/j.jiph.2019.11.015","article-title":"Overview of Hepatitis C Infection, Molecular Biology, and New Treatment","volume":"13","author":"Rabaan","year":"2020","journal-title":"J. Infect. Public Health"},{"key":"ref_5","unstructured":"(2022, November 29). WHO Publishes Updated Guidance on Hepatitis C Infection\u2013with New Recommendations on Treatment of Adolescents and Children, Simplified Service Delivery and Diagnostics. Available online: https:\/\/www.who.int\/news\/item\/24-06-2022-WHO-publishes-updated-guidance-on-hepatitis-C-infection."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"967","DOI":"10.1038\/nature04082","article-title":"Mechanism of Action of Interferon and Ribavirin in Treatment of Hepatitis C","volume":"436","author":"Feld","year":"2005","journal-title":"Nature"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.3851\/IMP2424","article-title":"The First Wave: HCV NS3 Protease Inhibitors Telaprevir and Boceprevir","volume":"17","author":"Marks","year":"2012","journal-title":"Antivir. Ther."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1136\/pgmj.2008.068205","article-title":"Current and Future Management of Chronic Hepatitis C Infection","volume":"84","author":"Cross","year":"2008","journal-title":"Postgrad. Med. J."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"133","DOI":"10.2174\/187152609787847749","article-title":"New Drug Targets for Hepatitis C and Other Flaviviridae Viruses","volume":"9","author":"Paula","year":"2009","journal-title":"Infect. Disord.-Drug Targets"},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"1825","DOI":"10.2165\/11635560-000000000-00000","article-title":"Interferon-Free Hepatitis C Therapy","volume":"72","author":"Pockros","year":"2012","journal-title":"Drugs"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1016\/j.jhep.2012.10.019","article-title":"Perspectives and Challenges of Interferon-Free Therapy for Chronic Hepatitis C","volume":"58","author":"Lange","year":"2013","journal-title":"J. Hepatol."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1111\/liv.13673","article-title":"Treatment of Hepatitis C Virus Infection with Direct-Acting Antiviral Agents: 100% Cure?","volume":"38","author":"Asselah","year":"2018","journal-title":"Liver Int."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1448","DOI":"10.1016\/j.jsps.2022.07.005","article-title":"The Effectiveness and Safety of Direct-Acting Antivirals for Hepatitis C Virus Treatment: A Single-Center Experience in Saudi Arabia","volume":"30","author":"Alarfaj","year":"2022","journal-title":"Saudi Pharm. J."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"496","DOI":"10.1002\/hep4.1826","article-title":"High Effectiveness of Broad Access Direct-Acting Antiviral Therapy for Hepatitis C in an Australian Real-World Cohort: The REACH-C Study","volume":"6","author":"Yee","year":"2022","journal-title":"Hepatol. Commun."},{"key":"ref_15","doi-asserted-by":"crossref","unstructured":"Sencanski, M., and Glisic, S. (2020). Direct-Acting Antiviral Drugs for Treatment of Hepatitis C Virus Infection-Clinical Trials Data and Chemistry of NS3\/4a Protease Inhibitors. Frontiers in Clinical Drug Research: Anti-Infectives, Bentham Science Publishers.","DOI":"10.2174\/9789811425745120060001"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"28","DOI":"10.20517\/2394-5079.2022.08","article-title":"Impact of Direct-Acting Antivirals on the Recurrence of Hepatocellular Carcinoma in Chronic Hepatitis C","volume":"8","author":"Tagkou","year":"2022","journal-title":"Hepatoma Res."},{"key":"ref_17","doi-asserted-by":"crossref","unstructured":"Dietz, C., and Maasoumy, B. (2022). Direct-Acting Antiviral Agents for Hepatitis C Virus Infection\u2014From Drug Discovery to Successful Implementation in Clinical Practice. Viruses, 14.","DOI":"10.3390\/v14061325"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1038\/nrmicro3046","article-title":"The Molecular and Structural Basis of Advanced Antiviral Therapy for Hepatitis C Virus Infection","volume":"11","author":"Bartenschlager","year":"2013","journal-title":"Nat. Rev. Microbiol."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1038\/nrmicro1645","article-title":"Replication of Hepatitis C Virus","volume":"5","author":"Moradpour","year":"2007","journal-title":"Nat. Rev. Microbiol."},{"key":"ref_20","first-page":"316","article-title":"Hepatitis C in a New Era: A Review of Current Therapies","volume":"42","author":"Kish","year":"2017","journal-title":"Pharm. Ther."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1002\/j.1460-2075.1996.tb00329.x","article-title":"Identification and Properties of the RNA-Dependent RNA Polymerase of Hepatitis C Virus","volume":"15","author":"Behrens","year":"1996","journal-title":"EMBO J."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"13278","DOI":"10.1128\/JVI.78.23.13278-13284.2004","article-title":"Membrane Association of the RNA-Dependent RNA Polymerase Is Essential for Hepatitis C Virus RNA Replication","volume":"78","author":"Moradpour","year":"2004","journal-title":"J. Virol."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1016\/j.antiviral.2006.06.001","article-title":"Recent Development of Therapeutics for Chronic HCV Infection","volume":"71","author":"Huang","year":"2006","journal-title":"Antivir. Res."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"1417","DOI":"10.1016\/S0969-2126(00)80031-3","article-title":"Crystal Structure of the RNA-Dependent RNA Polymerase of Hepatitis C Virus","volume":"7","author":"Ago","year":"1999","journal-title":"Structure"},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"13034","DOI":"10.1073\/pnas.96.23.13034","article-title":"Crystal Structure of the RNA-Dependent RNA Polymerase of Hepatitis C Virus","volume":"96","author":"Bressanelli","year":"1999","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"937","DOI":"10.1038\/13305","article-title":"Crystal Structure of the RNA-Dependent RNA Polymerase from Hepatitis C Virus Reveals a Fully Encircled Active Site","volume":"6","author":"Weber","year":"1999","journal-title":"Nat. Struct. Biol."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"3482","DOI":"10.1128\/JVI.76.7.3482-3492.2002","article-title":"Structural Analysis of the Hepatitis C Virus RNA Polymerase in Complex with Ribonucleotides","volume":"76","author":"Bressanelli","year":"2002","journal-title":"J. Virol."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"1027","DOI":"10.4155\/fmc.11.53","article-title":"Allosteric Inhibition of the Hepatitis C Virus NS5B Polymerase: In Silico Strategies for Drug Discovery and Development","volume":"3","author":"Barreca","year":"2011","journal-title":"Future Med. Chem."},{"key":"ref_29","first-page":"22","article-title":"New Therapies for Hepatitis C Virus Infection","volume":"13","author":"Vargas","year":"2017","journal-title":"Gastroenterol. Hepatol."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"114595","DOI":"10.1016\/j.ejmech.2022.114595","article-title":"Small Molecule NS5B RdRp Non-Nucleoside Inhibitors for the Treatment of HCV Infection: A Medicinal Chemistry Perspective","volume":"240","author":"Zhou","year":"2022","journal-title":"Eur. J. Med. Chem."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"7575","DOI":"10.1128\/JVI.77.13.7575-7581.2003","article-title":"Crystallographic Identification of a Noncompetitive Inhibitor Binding Site on the Hepatitis C Virus NS5B RNA Polymerase Enzyme","volume":"77","author":"Love","year":"2003","journal-title":"J. Virol."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"1991","DOI":"10.1016\/j.bmcl.2007.01.024","article-title":"Thiazolone-Acylsulfonamides as Novel HCV NS5B Polymerase Allosteric Inhibitors: Convergence of Structure-Based Drug Design and X-Ray Crystallographic Study","volume":"17","author":"Yan","year":"2007","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"9489","DOI":"10.1074\/jbc.M209397200","article-title":"Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on HCV NS5B Polymerase","volume":"278","author":"Wang","year":"2003","journal-title":"J. Biol. Chem."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"4132","DOI":"10.1016\/j.bmcl.2013.05.037","article-title":"Structure-Based Design of Novel HCV NS5B Thumb Pocket 2 Allosteric Inhibitors with Submicromolar Gt1 Replicon Potency: Discovery of a Quinazolinone Chemotype","volume":"23","author":"Beaulieu","year":"2013","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"2836","DOI":"10.1016\/j.bmc.2010.03.024","article-title":"Allosteric Inhibitors of Hepatitis C Virus NS5B Polymerase Thumb Domain Site II: Structure-Based Design and Synthesis of New Templates","volume":"18","author":"Malancona","year":"2010","journal-title":"Bioorg. Med. Chem."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"4288","DOI":"10.1016\/j.bmcl.2012.05.025","article-title":"Tri-Substituted Acylhydrazines as Tertiary Amide Bioisosteres: HCV NS5B Polymerase Inhibitors","volume":"22","author":"Canales","year":"2012","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"2585","DOI":"10.1016\/j.bmcl.2013.02.110","article-title":"Discovery of a Novel Series of Non-Nucleoside Thumb Pocket 2 HCV NS5B Polymerase Inhibitors","volume":"23","author":"Stammers","year":"2013","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"6879","DOI":"10.1016\/j.bmcl.2013.09.102","article-title":"Anthranilic Acid-Based Thumb Pocket 2 HCV NS5B Polymerase Inhibitors with Sub-Micromolar Potency in the Cell-Based Replicon Assay","volume":"23","author":"Stammers","year":"2013","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"1932","DOI":"10.1021\/jm4004522","article-title":"Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency","volume":"57","author":"Hucke","year":"2014","journal-title":"J. Med. Chem."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"4614","DOI":"10.1016\/j.bmcl.2010.06.008","article-title":"Cyclic Amide Bioisosterism: Strategic Application to the Design and Synthesis of HCV NS5B Polymerase Inhibitors","volume":"20","author":"Yang","year":"2010","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/j.bmcl.2006.09.095","article-title":"Novel Thiazolones as HCV NS5B Polymerase Allosteric Inhibitors: Further Designs, SAR, and X-Ray Complex Structure","volume":"17","author":"Yan","year":"2007","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/j.jmb.2006.05.074","article-title":"Non-Nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition","volume":"361","author":"Biswal","year":"2006","journal-title":"J. Mol. Biol."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"5206","DOI":"10.3390\/v7102868","article-title":"Inhibitors of the Hepatitis C Virus Polymerase; Mode of Action and Resistance","volume":"7","author":"Eltahla","year":"2015","journal-title":"Viruses"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"6","DOI":"10.1006\/viro.2001.0948","article-title":"A Novel Mechanism to Ensure Terminal Initiation by Hepatitis C Virus NS5B Polymerase","volume":"285","author":"Hong","year":"2001","journal-title":"Virology"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"868","DOI":"10.1021\/ci990307l","article-title":"Prediction of Physicochemical Parameters by Atomic Contributions","volume":"39","author":"Wildman","year":"1999","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: A Free Web Tool to Evaluate Pharmacokinetics, Drug-Likeness and Medicinal Chemistry Friendliness of Small Molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"1000","DOI":"10.1021\/ci034243x","article-title":"ESOL: Estimating Aqueous Solubility Directly from Molecular Structure","volume":"44","author":"Delaney","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"5908","DOI":"10.1021\/jo070731i","article-title":"Catalyst-Free Microwave-Assisted Amination of 2-Chloro-5-Nitrobenzoic Acid","volume":"72","author":"Baqi","year":"2007","journal-title":"J. Org. Chem."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"726","DOI":"10.3184\/174751912X13524831206251","article-title":"Metal Catalyst-Free Amination of 2-Chloro-5-Nitrobenzoic Acid in Superheated Water","volume":"36","author":"Lan","year":"2012","journal-title":"J. Chem. Res."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1111\/j.1478-4408.1967.tb02755.x","article-title":"The Synthesis and Ultraviolet Spectra of Nitrodiphenylamine Disperse Dyes II\u2014The Synthesis of Some Substituted 2- and 4-Nitrodiphenylamines","volume":"83","author":"Day","year":"1967","journal-title":"J. Soc. Dye. Colour."},{"key":"ref_51","first-page":"484","article-title":"Synthesis and Biological Activity of 2,5-Diaminobenzoic Acids Stimulating the Biosynthesis of Prostaglandins","volume":"37","author":"Kasztreiner","year":"1982","journal-title":"Pharmazie"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1016\/S0166-0934(03)00134-4","article-title":"A Replicon-Based Bioassay for the Measurement of Interferons in Patients with Chronic Hepatitis C","volume":"110","author":"Vrolijk","year":"2003","journal-title":"J. Virol. Methods"},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"991","DOI":"10.1039\/C9MD00200F","article-title":"Scaffold Hybridization Strategy towards Potent Hydroxamate-Based Inhibitors of Flaviviridae Viruses and Trypanosoma Species","volume":"10","author":"Giannakopoulou","year":"2019","journal-title":"Medchemcomm"},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"5365","DOI":"10.1128\/AAC.01256-12","article-title":"Efficient Replication of Genotype 3a and 4a Hepatitis C Virus Replicons in Human Hepatoma Cells","volume":"56","author":"Saeed","year":"2012","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"3399","DOI":"10.1128\/AAC.00113-14","article-title":"Identification of AP80978, a Novel Small-Molecule Inhibitor of Hepatitis C Virus Replication That Targets NS4B","volume":"58","author":"Briley","year":"2014","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"4057","DOI":"10.1111\/j.1742-4658.2007.05929.x","article-title":"Expression Studies of the Core+1 Protein of the Hepatitis C Virus 1a in Mammalian Cells","volume":"274","author":"Vassilaki","year":"2007","journal-title":"FEBS J."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1007\/s10822-010-9349-1","article-title":"Towards the Comprehensive, Rapid, and Accurate Prediction of the Favorable Tautomeric States of Drug-like Molecules in Aqueous Solution","volume":"24","author":"Greenwood","year":"2010","journal-title":"J. Comput. Aided. Mol. Des."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1007\/s10822-007-9133-z","article-title":"Epik: A Software Program for PK a Prediction and Protonation State Generation for Drug-like Molecules","volume":"21","author":"Shelley","year":"2007","journal-title":"J. Comput. Aided. Mol. Des."},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"2821","DOI":"10.1039\/j39710002821","article-title":"An Improved Synthesis of Substituted Benzoyl Acetates","volume":"2821","author":"Buckle","year":"1971","journal-title":"J. Chem. Soc. C Org."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1155\/2005\/542938","article-title":"Studies on Synthesis of Some Novel Heterocyclic Azlactone Derivatives and Imidazolinone Derivatives and Their Antimicrobial Activity","volume":"2","author":"Mistry","year":"2005","journal-title":"E-Journal Chem."},{"key":"ref_61","unstructured":"(2021, October 13). 2017 Reaction of Cinnamic Acid Chloride with Ammonia to Cinnamic Acid Amide. Available online: https:\/\/www.oc-praktikum.de\/nop\/en\/instructions\/pdf\/2017_en.pdf."},{"key":"ref_62","first-page":"702","article-title":"One-Pot Synthesis of Substituted Quinazolin-4(3H)-Ones under Microwave Irradiation","volume":"4","author":"Khajavi","year":"1998","journal-title":"J. Chem. Res."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"2715","DOI":"10.1080\/00397911.2011.566407","article-title":"Synthesis of 1-Substituted 4(1 H)-Quinazolinones Under Solvent-Free Conditions","volume":"42","author":"Wang","year":"2012","journal-title":"Synth. Commun."},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"2227","DOI":"10.1080\/00397910802026584","article-title":"Synthesis of 3-Aryl-4(3 H)-Quinazolinones from Anthranilic Acids and Triethyl Orthoformate","volume":"38","author":"Cao","year":"2008","journal-title":"Synth. Commun."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"254","DOI":"10.1080\/17518253.2012.742142","article-title":"PEG-600-Mediated, Green and Efficient, Tandem Syntheses of N-Subtituted-2-Styrylquinazolin-4-Ones","volume":"6","author":"Naidu","year":"2013","journal-title":"Green Chem. Lett. Rev."},{"key":"ref_66","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1016\/S0040-4039(01)80041-1","article-title":"Selective Reduction of Aromatic Nitro Compounds with Stannous Chloride in Non Acidic and Non Aqueous Medium","volume":"25","author":"Bellamy","year":"1984","journal-title":"Tetrahedron Lett."},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"394","DOI":"10.5012\/bkcs.2013.34.2.394","article-title":"Synthesis of N-Azaaryl Anilines: An Efficient Protocol via Smiles Rearrangement","volume":"34","author":"Xia","year":"2013","journal-title":"Bull. Korean Chem. Soc."},{"key":"ref_68","first-page":"35","article-title":"Studies on N-Acetylation of Anilines with Acetyl Chloride Using Phase Transfer Catalysts in Different Solvents","volume":"3","author":"Nagamani","year":"2011","journal-title":"Der Pharma Chem."},{"key":"ref_69","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1021\/jm051256o","article-title":"Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein\u2212Ligand Complexes","volume":"49","author":"Friesner","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref_70","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","article-title":"Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening","volume":"47","author":"Halgren","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","article-title":"Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy","volume":"47","author":"Friesner","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref_72","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","article-title":"Protein and Ligand Preparation: Parameters, Protocols, and Influence on Virtual Screening Enrichments","volume":"27","author":"Adzhigirey","year":"2013","journal-title":"J. Comput. Aided. Mol. Des."},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"3160","DOI":"10.1016\/j.bmc.2005.12.032","article-title":"New Insights about HERG Blockade Obtained from Protein Modeling, Potential Energy Mapping, and Docking Studies","volume":"14","author":"Farid","year":"2006","journal-title":"Bioorg. Med. Chem."},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1111\/j.1747-0285.2005.00327.x","article-title":"Use of an Induced Fit Receptor Structure in Virtual Screening","volume":"67","author":"Sherman","year":"2006","journal-title":"Chem. Biol. Drug Des."},{"key":"ref_75","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1021\/jm050540c","article-title":"Novel Procedure for Modeling Ligand\/Receptor Induced Fit Effects","volume":"49","author":"Sherman","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1002\/prot.10613","article-title":"A Hierarchical Approach to All-Atom Protein Loop Prediction","volume":"55","author":"Jacobson","year":"2004","journal-title":"Proteins Struct. Funct. Bioinforma."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"597","DOI":"10.1016\/S0022-2836(02)00470-9","article-title":"On the Role of the Crystal Environment in Determining Protein Side-Chain Conformations","volume":"320","author":"Jacobson","year":"2002","journal-title":"J. Mol. Biol."}],"container-title":["Viruses"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1999-4915\/14\/12\/2767\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T01:39:49Z","timestamp":1760146789000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1999-4915\/14\/12\/2767"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,12,12]]},"references-count":77,"journal-issue":{"issue":"12","published-online":{"date-parts":[[2022,12]]}},"alternative-id":["v14122767"],"URL":"https:\/\/doi.org\/10.3390\/v14122767","relation":{},"ISSN":["1999-4915"],"issn-type":[{"value":"1999-4915","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,12,12]]}}}