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

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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.

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Authors and Affiliations

  1. Biophysics Department, Faculty of Science, Cairo University, Giza, 12613, Egypt

    Ahmed A. Ezat, Abdo A. Elfiky & Wael M. Elshemey

  2. Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam, 31441, Saudi Arabia

    Noha A. Saleh

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  1. Ahmed A. Ezat
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  2. Abdo A. Elfiky
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  3. Wael M. Elshemey
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  4. Noha A. Saleh
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Correspondence to Noha A. Saleh.

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Ezat, A.A., Elfiky, A.A., Elshemey, W.M. et al. Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study. VirusDis. 30, 207–213 (2019). https://doi.org/10.1007/s13337-019-00516-7

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  • DOI: https://doi.org/10.1007/s13337-019-00516-7

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