Zika viral polymerase inhibition using anti-HCV drugs both in market and under clinical trials

Journal of Medical Virology

Volumn 88, Issue 12, 2016, Pages 2044-2051

  Elfiky, Abdo A ^a,b  

^a CAIRO UNIVERSITY   (Egypt)

^b ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

IDX 184; Molecular modeling; Nucleotide inhibitors; Polymerase; Protein ligand docking; Zika virus

Indexed keywords

ANTIVIRUS AGENT; IDX 184; MERICITABINE; MK 0608; RIBAVIRIN; SOFOSBUVIR; UNCLASSIFIED DRUG; VIRUS ENZYME; ZIKA VIRAL POLYMERASE; 7-DEAZA-2'-C-METHYLADENOSINE; ENZYME INHIBITOR; GUANOSINE PHOSPHATE; RNA DIRECTED RNA POLYMERASE; TUBERCIDIN;

ANTIVIRAL ACTIVITY; ARTICLE; COMPUTER MODEL; CONTROLLED STUDY; DRUG MECHANISM; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME INHIBITION; MOLECULAR DOCKING; ZIKA VIRUS; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; CLINICAL TRIAL (TOPIC); COMPUTER SIMULATION; DRUG DEVELOPMENT; DRUG EFFECTS; ENZYMOLOGY; HEPACIVIRUS; HEPATITIS C; HUMAN; VIROLOGY; ZIKA VIRUS INFECTION;

ANTIVIRAL AGENTS; CLINICAL TRIALS AS TOPIC; COMPUTER SIMULATION; DRUG DISCOVERY; ENZYME INHIBITORS; GUANOSINE MONOPHOSPHATE; HEPACIVIRUS; HEPATITIS C; HUMANS; MOLECULAR DOCKING SIMULATION; RNA REPLICASE; TUBERCIDIN; ZIKA VIRUS; ZIKA VIRUS INFECTION;

EID: 84988421322     PISSN: 01466615     EISSN: 10969071     Source Type: Journal    
DOI: 10.1002/jmv.24678     Document Type: Article

References (42)

1. Asselah T. 2014. Daclatasvir plus sofosbuvir for HCV infection: An oral combination therapy with high antiviral efficacy. J Hepatol 61:435-438.
2. Bahgat MM, Ibrahim AA, Abd-Elshafy DN, Mesalam AA, Gewaid HE, Ismaeil AA, El-Waseef AM, Maghraby AS, Barakat AB, El-Far MA, Ghanem Hel D, Mohamed AM, Ali MA. 2009. Characterization of NS3 protease from an Egyptian HCV genotype 4a isolate. Arch Virol 154:1649-1657.
3. Bellissent-Funel M-C, Hassanali A, Havenith M, Henchman R, Pohl P, Sterpone F, van der Spoel D, Xu Y, Garcia AE. 2016. Water determines the structure and dynamics of proteins. Chem Rev 116:7673-7697.
4. Boorman JPT, Porterfield JS. 1956. A simple technique for infection of mosquitoes with viruses transmission of Zika virus. Transac Royal Soc Tropic Med Hygiene 50:238-242.
5. Das D, Hong J, Chen SH, Wang G, Beigelman L, Seiwert SD, Buckman BO. 2011. Recent advances in drug discovery of benzothiadiazine and related analogs as HCV NS5B polymerase inhibitors. Bioorg Med Chem 19:4690-4703.
6. De Francesco R, Carfí A. 2007. Advances in the development of new therapeutic agents targeting the NS3-4A serine protease or the NS5B RNA-dependent RNA polymerase of the hepatitis C virus. Adv Drug Deliv Rev 59:1242-1262.
7. De Francesco R, Tomei L, Altamura S, Summa V, Migliaccio G. 2003. Approaching a new era for hepatitis C virus therapy: Inhibitors of the NS3-4A serine protease and the NS5B RNAdependent RNA polymerase. Antiviral Res 58:1-16.
8. Dick G W A, Haddow A J. 1952. Zika virus (I) isolations and serological specificity. Transac Royal Soc Trop Med Hygiene 46:509-520.
9. Duffy MR, Chen T-H, Hancock WT, Powers AM, Kool JL, Lanciotti RS, Pretrick M, Marfel M, Holzbauer S, Dubray C, Guillaumot L, Griggs A, Bel M, Lambert AJ, Laven J, Kosoy O, Panella A, Biggerstaff BJ, Fischer M, Hayes EB. 2009. Zika Virus outbreak on Yap Island, Federated States of Micronesia. N Engl J Med 360:2536-2543.
10. Elfiky AA, Elshemey WM. 2016. IDX-184 is a superior HCV directacting antiviral drug: A QSAR study. Med Chem Res 25: 1005-1008.
11. Elfiky AA, Elshemey WM, Gawad WA, Desoky OS. 2013. Molecular modeling comparison of the performance of NS5b polymerase inhibitor (PSI-7977) on prevalent HCV genotypes. Protein J 32: 75-80.
12. Elfiky AA, Elshemey WM, Gawad WA. 2015. 20-Methylguanosine prodrug (IDX-184), phosphoramidate prodrug (Sofosbuvir), diisobutyryl prodrug (R7128) are better than their parent nucleotides and ribavirin in hepatitis C virus inhibition: A molecular modeling study. J Comput Theoretic Nanosci 12:376-386.
13. Elfiky AA, Gawad WA, Elshemey WM. (in press). Hepatitis C viral polymerase inhibition using directly acting antivirals, a computational approach. software and techniques for bio-molecular modeling. MA: Austin publishing group.
14. Genovese D, Dettori S, Argentini C, Villano U, Chionne P, Angelico M, Rapicetta M. 2005. Molecular epidemiology of hepatitis C virus genotype 4 isolates in Egypt and analysis of the variability of envelope proteins E1 and E2 in patients with chronic hepatitis. J Clin Microbiol 43:1902-1909.
15. Gonzalez-Grande R, Jimenez-Perez M, Gonzalez Arjona C, Mostazo Torres J. 2016. New approaches in the treatment of hepatitis C. World J Gastroenterol 22:1421-1432.
16. Grard G, Caron M, Mombo IM, Nkoghe D, Mboui Ondo S, Jiolle D, Fontenille D, Paupy C, Leroy EM. 2014. Zika virus in Gabon (Central Africa)—2007: A new threat from Aedes albopictus? PLoS Negl Trop Dis 8:e2681.
17. Haddow AJ, Woodall JP, Simpson DIH, Goma LKH. 1964. Twelve isolations of Zika Virus from Aedes (Stegomyla) africanus (Theobald) taken in and above a Uganda Forest. Bull Wid Hith Org 31:69.
18. Haddow AD, Schuh AJ, Yasuda CY, Kasper MR, Heang V, Huy R, Guzman H, Tesh RB, Weaver SC. 2012. Genetic characterization of Zika virus strains: Geographic expansion of the Asian lineage. PLoS Negl Trop Dis 6:e1477.
19. Halfon P, Locarnini S. 2011. Hepatitis C virus resistance to protease inhibitors. J Hepatol 55:192-206.
20. Kelley LA, Mezulis S, Yates CM, Wass MN, Sternberg MJE. 2015. The Phyre2 web portal for protein modeling, prediction and analysis. Nat Protocols 10:845-858.
21. Kuno G, Chang GJ. 2007. Full-length sequencing and genomic characterization of Bagaza Kedougou, and Zika viruses. Arch Virol 152:687-696.
22. Kutsuna S, Kotaki A, Uemura H, Matono T, Fujiya Y, Mawatari M, Takeshita N, Hayakawa K, Kanagawa S, Ohmagari N. 2014. Two cases of Zika fever imported from French Polynesia to Japan, December 2013 to January 2014. Euro Surveill 19:50-53.
23. Lanciotti RS, Kosoy OL, Laven JJ, Velez JO, Lambert AJ, Johnson AJ, Stanfield SM, Duffy MR. 2007. Genetic and serologic properties of Zika virus associated with an epidemic, Yap State, Micronesia, 2007. Emerg Infect Dis 14:1232-1239.
24. Lemon SM, McKeating JA, Pietschmann T, Frick DN, Glenn JS, Tellinghuisen TL, Symons J, Furman PA. 2010. Development of novel therapies for hepatitis C. Antiviral Res 86:79-92.
25. Love RA, Parge HP, Wickersham JA, Hostomsky Z, Habuka N, Moomaw EW, Adachi T, Hostomska Z. 1996. The crystal structure of hepatitis c virus ns3 proteinase reveals a trypsinlike fold and a structural zinc binding site. Cell 87:331-342.
26. MacNamara FN. 1954. Zika virus: A report on three cases of human infection during an epidemic of jaundice in Nigeria. Transac Royal Soc Tropic Med Hygiene 48:139-145.
27. Mlakar J, Korva M, Tul N, Popovic M, Poljsak-Prijatelj M, Mraz J, Kolenc M, Resman Rus K, Vesnaver Vipotnik T, Fabjan Vodusek V, Vizjak A, Pizem J, Petrovec M, Avsic Zupanc T. 2016. Zika Virus associated with microcephaly. N Engl J Med 374:951-958.
28. Musso D, Nilles EJ, Cao-Lormeau VM. 2014. Rapid spread of emerging Zika virus in the Pacific area. Clin Microbiol Infect 20: O595-O596.
29. Olson JG, Ksiazek TG, Suhandiman, Triwibowo. 1981. Zika virus, a cause of fever in Central Java, Indonesia. Transac Royal Soc Tropic Med Hygiene 75:389-393.
30. 1.7.6, V. The PyMOL Molecular Graphics System, Version 1.7.6 Schrödinger, LLC.
31. Robert X, Gouet P. 2014. Deciphering key features in protein structures with the new ENDscript server. Nucleic Acids Res 42: W320-W324.
32. Sacramento CQ, de Melo GR, Rocha N, Hoelz LVB, Mesquita M, de Freitas CS, Fintelman-Rodrigues N, Marttorelli A, Ferreira AC, Barbosa-Lima G, Bastos MM, Volotao EM, Tschoeke DA, Leomil L, Bozza FA, Bozza PT, Boechat N, Thompson FL, de Filippis AMB, Bruning K, Souza T. 2016. The clinically approved antiviral drug sofosbuvir impairs Brazilian zika virus replication. bioRxiv.
33. Saleh NA, Elfiky AA, Ezat AA, Elshemey WM, Ibrahim M. 2014. The Electronic and quantitative structure activity relationship properties of modified telaprevir compounds as HCV NS3 protease inhibitors. J Comput Theoretic Nanosci 11:544-548.
34. Saleh NA, Ezat AA, Elfiky AA, Elshemey WM, Ibrahim M. 2015. Theoretical study on modified boceprevir compounds as NS3 protease inhibitors. J Comput Theoretic Nanosci 12:371-375.
35. Sarrazin C, Hézode C, Zeuzem S, Pawlotsky J-M. 2012. Antiviral strategies in hepatitis C virus infection. J Hepatol 56:S88.
36. Sievers F, Wilm A, Dineen D, Gibson TJ, Karplus K, Li W, Lopez R, McWilliam H, Remmert M, Soding J, Thompson JD, Higgins DG. 2011. Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega. Mol Syst Biol 7:539.
37. Summers KL, Mahrok AK, Dryden MD, Stillman MJ. 2012. Structural properties of metal-free apometallothioneins. Biochem Biophys Res Commun 425:485-492.
38. Tong J, Wang Y-w, Lu Y-a. 2012. New developments in small molecular compounds for anti-hepatitis C virus (HCV) therapy. J Zhejiang Univ Sci B 13:56-82.
39. WHO. 2016. Zika strategic response framework and joint operations plan January-June 2016.
40. Yan S, Appleby T, Larson G, Wu JZ, Hamatake R, Hong Z, Yao N. 2006. Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg Med Chem Lett 16:5888-5891.
41. Yang PL, Gao M, Lin K, Liu Q, Villareal VA. 2011. Anti-HCV drugs in the pipeline. Curr Opin Virol 1:607-616.
42. Zumla A, Goodfellow I, Kasolo F, Ntoumi F, Buchy P, Bates M, Azhar EI, Cotten M, Petersen E. 2016. Zika virus outbreak and the case for building effective and sustainable rapid diagnostics laboratory capacity globally. Int J Infect Dis 45:92-94.