Mukta S, Ahmed T, Banik A, Paul M, Deb A, Zohora FT, Ahmed SR. WITHDRAWN: quest for novel plant based therapeutic options against dengue virus NS2B-NS3. Protease: An Integrative Computational Methodology; 2023.

Google Scholar 

Bhatt S, Gething PW, Brady OJ, Messina JP, Farlow AW, Moyes CL, et al. The global distribution and burden of dengue. Nature. 2013;496:504–7. https://doi.org/10.1038/nature12060.

Article  PubMed  PubMed Central  Google Scholar 

Hasan S, Jamdar SF, Alalowi M, Al AA, Beaiji SM. Dengue virus: A global human threat: review of literature. J Int Soc Prev Community Dent. 2016;6:1–6. https://doi.org/10.4103/2231-0762.175416.

Article  PubMed  PubMed Central  Google Scholar 

Mukhtar M, Khan HA, Zaidi NUSS. Exploring the inhibitory potential of Nigella Sativa against dengue virus NS2B/NS3 protease and NS5 polymerase using computational approaches. RSC Adv. 2023;13:18306–22. https://doi.org/10.1039/D3RA02613B.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Frecer V, Miertus S. Design, structure-based focusing and in silico screening of combinatorial library of peptidomimetic inhibitors of dengue virus NS2B-NS3 protease. J Comput Aided Mol Des. 2010;24:195–212. https://doi.org/10.1007/s10822-010-9326-8.

Article  CAS  PubMed  Google Scholar 

Pourzangiabadi M, Najafi H, Fallah A, Goudarzi A, Pouladi I. Dengue virus: etiology, epidemiology, pathobiology, and developments in diagnosis and control – a comprehensive review. Infect Genet Evol. 2025;127:105710. https://doi.org/10.1016/j.meegid.2024.105710.

Article  PubMed  Google Scholar 

Dengue and Severe Dengue Available online. https://www.who.int/news-room/fact-sheets/detail/dengue-and-severe-dengue (accessed on 23 March 2023).

Norshidah H, Leow CH, Ezleen KE, Wahab HA, Vignesh R, Rasul A, et al. Assessing the potential of NS2B/NS3 protease inhibitors biomarker in curbing dengue virus infections: in silico vs. in vitro approach. Front Cell Infect Microbiol. 2023;13:1061937. https://doi.org/10.3389/fcimb.2023.1061937.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Moyeenul Huq A, Roney M, Tajuddin SN, Aluwi MFFM. Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease. Jrp. 2023;27(5):1760–7. https://doi.org/10.29228/jrp.460.

Article  CAS  Google Scholar 

Lim SP, Wang Q-Y, Noble CG, Chen Y-L, Dong H, Zou B, et al. Ten years of dengue drug discovery: progress and prospects. Antiviral Res. 2013;100:500–19. https://doi.org/10.1016/j.antiviral.2013.09.013.

Article  CAS  PubMed  Google Scholar 

Villar L, Dayan GH, Arredondo-García JL, Rivera DM, Cunha R, Deseda C, et al. Efficacy of a tetravalent dengue vaccine in children in Latin America. N Engl J Med. 2015;372:113–23. https://doi.org/10.1056/NEJMoa1411037.

Article  CAS  PubMed  Google Scholar 

Li Q, Kang C. Structures and dynamics of dengue virus nonstructural membrane proteins. Membranes. 2022;12:231. https://doi.org/10.3390/membranes12020231.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Wahaab A, Mustafa BE, Hameed M, Stevenson NJ, Anwar MN, Liu K, et al. Potential role of Flavivirus NS2B-NS3 proteases in viral pathogenesis and anti-Flavivirus drug discovery employing animal cells and models: a review. Viruses. 2021;14:44. https://doi.org/10.3390/v14010044.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Park J, Kim J, Jang Y-S. Current status and perspectives on vaccine development against dengue virus infection. J Microbiol. 2022;60:247–54. https://doi.org/10.1007/s12275-022-1625-y.

Article  PubMed  PubMed Central  Google Scholar 

Astuti I. Ysrafil severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2): an overview of viral structure and host response. Diabetes Metabolic Syndrome: Clin Res Reviews. 2020;14:407–12. https://doi.org/10.1016/j.dsx.2020.04.020.

Article  Google Scholar 

Roney M, Huq AM, Rullah K, Hamid HA, Imran S, Islam M, et al. Virtual screening-based identification of potent DENV-3 RdRp protease inhibitors via in-house usnic acid derivative database. J Comput Biophys Chem. 2021;20:797–814. https://doi.org/10.1142/S2737416521500496.

Article  CAS  Google Scholar 

Starvaggi J, Previti S, Zappalà M, Ettari R, Starvaggi J, Previti S, et al. The inhibition of NS2B/NS3 protease: a new therapeutic opportunity to treat dengue and Zika virus infection. Int J Mol Sci. 2024. https://doi.org/10.3390/ijms25084376.

Article  PubMed  PubMed Central  Google Scholar 

Lim SYM, Chieng JY, Pan Y. Recent insights on anti-Dengue virus (DENV) medicinal plants: review on in vitro, in vivo and in silico discoveries. All Life. 2021;14:1–33. https://doi.org/10.1080/26895293.2020.1856192.

Article  CAS  Google Scholar 

Yap TL, Xu T, Chen Y-L, Malet H, Egloff M-P, Canard B, et al. Crystal structure of the dengue virus RNA-dependent RNA polymerase catalytic domain at 1.85-Angstrom resolution. J Virol. 2007;81:4753–65. https://doi.org/10.1128/JVI.02283-06.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Knyazhanskaya E, Morais MC, Choi KH. Flavivirus enzymes and their inhibitors. Enzymes. 2021;49:265–303. https://doi.org/10.1016/bs.enz.2021.07.006.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Venkataraman S, Prasad BVLS, Selvarajan R. RNA dependent RNA polymerases: insights from structure, function and evolution. Viruses. 2018;10:76. https://doi.org/10.3390/v10020076.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE. The protein data bank. Nucleic Acids Res. 2000;28:235–42.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Noble CG, Seh CC, Chao AT, Shi PY. Ligand-bound structures of the dengue virus protease reveal the active conformation. J Virol. 2012;86:438–46. https://doi.org/10.1128/JVI.06225-11.

Article  CAS  PubMed  Google Scholar 

Lim SP, Noble CG, Seh CC, Soh TS, El Sahili A, Chan GKY, et al. Potent allosteric Dengue Virus NS5 polymerase inhibitors: mechanism of action and resistance profiling. PLoS Pathog. 2016;12:e1005737. https://doi.org/10.1371/journal.ppat.1005737.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Waterhouse A, Bertoni M, Bienert S, Studer G, Tauriello G, Gumienny R, Heer FT, de Beer TAP, Rempfer C, Bordoli L. SWISS-MODEL: homology modelling of protein structures and complexes. Nucleic Acids Res. 2018;46:W296–303.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Schrödinger R, Epik, Schrödinger LLC, New York NY, 2021;, Impact, Schrödinger, LLC, New York, NY;, Prime. Schrödinger, LLC, New York, NY, 2021.

Jacobson MP, Pincus DL, Rapp CS, Day TJ, Honig B, Shaw DE, et al. A hierarchical approach to all-atom protein loop prediction. Proteins Struct Funct Bioinform. 2004;55:351–67.

Article  CAS  Google Scholar 

Madhavi Sastry G, Adzhigirey M, Day T, Annabhimoju R, Sherman W. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. J Comput Aided Mol Des. 2013;27:221–34.

Article  CAS  PubMed  Google Scholar 

Jorgensen WL, Tirado-Rives J. The OPLS [Optimized potentials for liquid Simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin. J Am Chem Soc. 1988;110:1657–66. https://doi.org/10.1021/ja00214a001.

Article  CAS  PubMed  Google Scholar 

Sorokina M, Merseburger P, Rajan K, Yirik MA, Steinbeck C. COCONUT online: collection of open natural products database. J Cheminform. 2021;13:1–13.

Article