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Identification of new potent inhibitors of dengue virus NS3 protease from traditional Chinese medicine database

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Abstract

Dengue virus (DENV) has emerged as an increasing fitness problem in the world for which no specialized drug is available. The non-structural protein NS3 protease of DENV has already been recognized as a potential therapeutic target for the discovery and development of novel antiviral agents against DENV infections. In this study, we employed the virtual screening technique to explore the potent inhibitors of DENV NS2B/NS3pro from Traditional Chinese Medicine (TCM) database. Total 200 inhibitors from TCM against DENV NS3pro were screened and only five TCM compounds like eriodictyol 7-O-glucuronide, luteolin 8-C-beta-glucopyranoside, (-)-epicatechin-3-O-gallate, 6-O-trans-p-coumaroylgeniposide and luteolin-7-O-glucoside were selected for further analysis which showed binding energies, −7.000, −7.380, −7.380, −7.440 and −7.440 kcal/mol, respectively. The findings of this study suggest that these five TCM compounds can be considered as potent inhibitors for DENV NS2B/NS3pro for the development of anti-dengue drugs.

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Acknowledgments

Authors acknowledge the support provided by Department of Biotechnology, D.D.U. Gorakhpur University, Gorakhpur.

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Authors and Affiliations

  1. Faculty of Science and Environment, M.G.C.G.Vishwavidyalaya, Chitrakoot, Satna, M. P., India

    Vivek Dhar Dwivedi & Indra Prasad Tripathi

  2. Nanotechnology Research and Application Center, Sabanci University, Istanbul, Turkey

    Shiv Bharadwaj

  3. School of Biotechnology, Gautam Buddha University, Greater Noida, U. P., India

    Aman Chandra Kaushik

  4. Department of Biotechnology, D.D.U. Gorakhpur University, Gorakhpur, U. P., India

    Vivek Dhar Dwivedi & Sarad Kumar Mishra

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  1. Vivek Dhar Dwivedi
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  2. Indra Prasad Tripathi
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  3. Shiv Bharadwaj
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  5. Sarad Kumar Mishra
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Correspondence to Sarad Kumar Mishra.

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Dwivedi, V.D., Tripathi, I.P., Bharadwaj, S. et al. Identification of new potent inhibitors of dengue virus NS3 protease from traditional Chinese medicine database. VirusDis. 27, 220–225 (2016). https://doi.org/10.1007/s13337-016-0328-6

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