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Ezat AA, Elfiky AA, Elshemey WM, et al. Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study. Virusdisease. 2019;30(2):207-213doi: 10.1007/s13337-019-00516-7.
Ezat, A. A., Elfiky, A. A., Elshemey, W. M., & Saleh, N. A. (2019). Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study. Virusdisease, 30(2), 207-213. https://doi.org/10.1007/s13337-019-00516-7
Ezat, Ahmed A, et al. "Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study." Virusdisease vol. 30,2 (2019): 207-213. doi: https://doi.org/10.1007/s13337-019-00516-7
Ezat AA, Elfiky AA, Elshemey WM, Saleh NA. Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study. Virusdisease. 2019 Jun;30(2):207-213. doi: 10.1007/s13337-019-00516-7. Epub 2019 Mar 21. PMID: 31179358; PMCID: PMC6531565.
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Virusdisease. 2019 Jun;30(2):207-213. doi: 10.1007/s13337-019-00516-7. Epub 2019 Mar 21.

Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study.

Virusdisease

Ahmed A Ezat, Abdo A Elfiky, Wael M Elshemey, Noha A Saleh

Affiliations

  1. 1Biophysics Department, Faculty of Science, Cairo University, Giza, 12613 Egypt.
  2. 2Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam, 31441 Saudi Arabia.

PMID: 31179358 PMCID: PMC6531565 DOI: 10.1007/s13337-019-00516-7

Abstract

In 2011, the FDA approved boceprevir as a hepatitis C virus (HCV) NS3 serine protease inhibitor. The sustained virological response rate for treatment with this approved compound is considerably low. Patients have not responded as much as expected to boceprevir therapy. In this in silico study, modified boceprevir compounds are suggested and tested on wild-type HCV NS3 protease and 19 mutated HCV NS3 proteases using molecular docking. Results reveal the superiority of two of the proposed modified compounds to boceprevir. One of which appears to be more potent than boceprevir itself concerning activity against wild-type NS3 and most of the examined mutated NS3 proteases.

Keywords: Boceprevir; Fluorinated sulfonamide; HCV; Molecular modeling; Mutated NS3 protease; Protein–ligand docking

Conflict of interest statement

Conflict of interestAll the authors declare that there are no conflicts of interest related to this work.

References

  1. Nat Struct Biol. 2003 Dec;10(12):980 - PubMed
  2. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9 - PubMed
  3. Bioorg Med Chem. 2010 Mar 1;18(5):1854-65 - PubMed
  4. J Hepatol. 2011 Jul;55(1):192-206 - PubMed
  5. Bioorg Med Chem. 2011 Aug 15;19(16):4690-703 - PubMed
  6. J Med Chem. 2012 Jan 26;55(2):754-65 - PubMed
  7. J Hepatol. 2012;56 Suppl 1:S88-100 - PubMed
  8. Curr Opin Virol. 2011 Dec;1(6):607-16 - PubMed
  9. Protein J. 2014 Feb;33(1):32-47 - PubMed
  10. Bioorg Med Chem Lett. 2014 Feb 1;24(3):969-72 - PubMed
  11. J Hepatol. 2014 Aug;61(2):435-8 - PubMed
  12. Science. 1989 Apr 21;244(4902):359-62 - PubMed
  13. Nucleic Acids Res. 2015 Jul 1;43(W1):W443-7 - PubMed
  14. Gene. 2015 Oct 1;570(1):115-21 - PubMed
  15. Clin Res Hepatol Gastroenterol. 2016 Nov;40(5):597-604 - PubMed
  16. Life Sci. 2017 Oct 15;187:58-63 - PubMed
  17. Drug Resist Updat. 2018 Mar;37:17-39 - PubMed
  18. Virus Res. 2018 Jul 15;253:135-139 - PubMed
  19. Structure. 2018 Oct 2;26(10):1360-1372.e5 - PubMed
  20. Eur J Med Chem. 2019 Feb 15;164:576-601 - PubMed

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