References
- World Health Organization. Dengue and severe dengue. WHO Fact Sheets. 2024. Available from: https://www.who.int/news-room/fact-sheets/detail/dengue-and-severe-dengue.
- Waggoner J.J., Gresh L., Vargas M.J., Ballesteros G., Tellez Y., Soda K.J., Sahoo M.K., Nuñez A., Balmaseda A., Harris E., et al. Viremia and clinical presentation in Nicaraguan patients infected with Zika virus, chikungunya virus, and dengue virus. Clin. Infect. Dis. 2016;63:1584–1590. doi: 10.1093/cid/ciw589
- Dehghani R., Kassiri H. A review on epidemiology of dengue viral infection as an emerging disease. Res. J. Pharm. Technol. 2021;14:2296–2301. doi: 10.52711/0974-360X.2021.00406
- Leowattana W., Leowattana T. Dengue hemorrhagic fever and the liver. World J. Hepatol. 2021;13:1968–1976. doi: 10.4254/wjh.v13.i12.1968
- Sinha S., Singh K., Ravi Kumar Y.S., Roy R., Phadnis S., Meena V., Bhattacharyya S., Verma B. Dengue virus pathogenesis and host molecular machineries. J. Biomed. Sci. 2024;31. Article No. 43. doi: 10.1186/s12929-024-01030-9
- Ng W.C., Soto-Acosta R., Bradrick S.S., Garcia-Blanco M.A., Ooi E.E. The 5′ and 3′ untranslated regions of the flaviviral genome. Viruses. 2017;9. Article No. 137. doi: 10.3390/v9060137
- Gautam S., Thakur A., Rajput A., Kumar M. Anti-dengue: A machine learning-assisted prediction of small molecule antivirals against dengue virus and implications in drug repurposing. Viruses. 2023;16. Article No. 45. doi: 10.3390/v16010045
- Swarbrick C.M.D., Basavannacharya C., Chan K.W.K., Chan S.-A., Singh D., Wei N., Phoo W.W., Luo D., Lescar J., Vasudevan S.G. NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication. Nucleic Acids Res. 2017;45:12904–12920. doi: 10.1093/nar/gkx1127
- Xu T., Sampath A., Chao A., Wen D., Nanao M., Chene P., Vasudevan S.G., Lescar J. Structure of the dengue virus helicase/nucleoside triphosphatase catalytic domain at a resolution of 2.4 Å. J. Virol. 2005;79:10278–10288. doi: 10.1128/JVI.79.16.10278-10288.2005
- Luo D., Wei N., Doan D.N., Paradkar P.N., Chong Y., Davidson A.D., Kotaka M., Lescar J., Vasudevan S.G. Flexibility between the protease and helicase domains of the dengue virus NS3 protein conferred by the linker region and its functional implications. J. Biol. Chem. 2010;285:18817–18827. doi: 10.1074/jbc.M109.090936
- Benarroch D., Selisko B., Locatelli G.A., Maga G., Romette J.-L., Canard B. The RNA helicase, nucleotide 5′-triphosphatase, and RNA 5′-triphosphatase activities of dengue virus protein NS3 are Mg²⁺-dependent and require a functional Walker B motif in the helicase catalytic core. Virology. 2004;328:208–218. doi: 10.1016/j.virol.2004.07.004
- Silva E.M., Conde J.N., Allonso D., Ventura G.T., Coelho D.R., Carneiro F.A., Mohana-Borges R., Bozza P.T., Silva J.L., Mohana-Borges R., et al. Dengue virus nonstructural 3 protein interacts directly with human glyceraldehyde-3-phosphate dehydrogenase (GAPDH) and reduces its glycolytic activity. Sci. Rep. 2019;9:2651. doi: 10.1038/s41598-019-39157-7
- Kok B.H., Lim H.T., Lim C.P., Lai N.S., Leow C.Y., Leow C.H. Dengue virus infection—a review of pathogenesis, vaccines, diagnosis and therapy. Virus Res. 2023;324. Article No. 199018. doi: 10.1016/j.virusres.2022.199018
- Chauhan N., Gaur K.K., Asuru T.R., Guchhait P. Dengue virus: pathogenesis and potential for small molecule inhibitors. Biosci. Rep. 2024;44. Article No. BSR20240134. doi: 10.1042/BSR20240134
- Rahman M.M., Biswas S., Islam K.J., Paul A.S., Mahato S.K., Ali M.A., Halim M.A. Antiviral phytochemicals as potent inhibitors against NS3 protease of dengue virus. Comput. Biol. Med. 2021;134. Article No. 104492. doi: 10.1016/j.compbiomed.2021.104492
- Behl T., Rocchetti G., Chadha S., Zengin G., Bungau S., Kumar A., Mehta V., Uddin M.S., Khullar G., Setia D. et al. Phytochemicals from plant foods as potential source of antiviral agents: an overview. Pharmaceuticals (Basel). 2021;14. Article No. 381. doi: 10.3390/ph14040381
- Khan R.A., Hossain R., Siyadatpanah A., Al-Khafaji K., Khalipha A.B.R., Dey D., Asha U.H., Biswas P., Saikat A.S.M., Islam M.T. Diterpenes/diterpenoids and their derivatives as potential bioactive leads against dengue virus: a computational and network pharmacology study. Molecules. 2021;26. Article No. 6821. doi: 10.3390/molecules26226821
- Lim S.Y.M., Chieng J.Y., 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. doi: 10.1080/26895293.2020.1856192
- Agrawal P.K., Agrawal C., Blunden G. Naringenin as a possible candidate against SARS-CoV-2 infection and in the pathogenesis of COVID-19. Nat. Prod. Commun. 2021;16:1–7. doi: 10.1177/1934578X211066723
- Zandi K., Teoh B.T., Sam S.S., Wong P.F., Mustafa M.R., AbuBakar S. In vitro antiviral activity of fisetin, rutin and naringenin against dengue virus type-2. J. Med. Plants Res. 2011;5:5534–5539. doi: 10.5897/JMPR11.1046
- Frabasile S., Koishi A.C., Kuczera D., Silveira G.F., Verri W.A. Jr., Duarte dos Santos C.N., Bordignon J. The citrus flavanone naringenin impairs dengue virus replication in human cells. Sci. Rep. 2017;7. Article No. 41864. doi: 10.1038/srep41864
- Nahmias Y., Goldwasser J., Casali M., van Poll D., Wakita T., Chung R.T., Yarmush M.L. Apolipoprotein B-dependent hepatitis C virus secretion is inhibited by the grapefruit flavonoid naringenin. Hepatology. 2008;47:1437–1445. doi: 10.1002/hep.22197
- Lyu S.-Y., Rhim J.-Y., Park W.-B. Antiherpetic activities of flavonoids against herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2) in vitro. Arch. Pharm. Res. 2005;28:1293–1301. doi: 10.1007/BF02978215
- da Silva C.C.F., Salatino A., da Motta L.B., Negri G., Salatino M.L.F. Chemical characterization, antioxidant and anti-HIV activities of a Brazilian propolis from Ceará State. Braz. J. Pharmacogn. 2019;29:309–318. doi: 10.1016/j.bjp.2019.04.001
- Mirza S.B., Salmas R.E., Fatmi M.Q., Durdagi S. Virtual screening of eighteen million compounds against dengue virus: combined molecular docking and molecular dynamics simulations study. J. Mol. Graph. Model. 2016;66:99–107. doi: 10.1016/j.jmgm.2016.03.008
- Saqallah F.G., Abbas M.A., Wahab H.A. Recent advances in natural products as potential inhibitors of dengue virus with a special emphasis on NS2B/NS3 protease. Phytochemistry. 2022;202. Article No. 113362. doi: 10.1016/j.phytochem.2022.113362
- Satpathy R., Acharya S., Behera R. Computational design, docking, and molecular dynamics simulation study of RNA helicase inhibitors of dengue virus. J. Vector Borne Dis. 2024;61:536–546. doi: 10.4103/JVBD.jvbd_188_23
- Lee M.F., Tan S.L., Ahemad N., Hamid A.A.A., Hishamuddin S.A.S.N., Batumalaie K., Afzal S., Wu Y.S. Molecular docking and dynamics simulation reveal withanolides as potent antivirals against dengue virus. S. Afr. J. Bot. 2024;169:426–434. doi: 10.1016/j.sajb.2024.04.045
- Alagarasu K., Patil P., Kaushik M., Chowdhury D., Joshi R.K., Hegde H.V., Kakade M.B., Hoti S.L., Cherian S., Parashar D. In vitro antiviral activity of potential medicinal plant extracts against dengue and chikungunya viruses. Front. Cell Infect. Microbiol. 2022;12. Article No. 866452. doi: 10.3389/fcimb.2022.866452
- Joseph B., Sankarganesh P., Ichiyama K., Yamamoto N. In vitro study on cytotoxic effect and anti-DENV-2 activity of Carica papaya L. leaf. Front. Life Sci. 2015;8:18–22. doi: 10.1080/21553769.2014.924080
- Kaushik S., Kaushik S., Kumar R., Dar L., Yadav J.P. In vitro and in silico activity of Cyamopsis tetragonoloba (Gaur) L. supercritical extract against the dengue virus serotype 2. VirusDisease. 2020;31:470–478. doi: 10.1007/s13337-020-00624-9
- Duda-Madej A., Stecko J., Sobieraj J., Szymańska N., Kozłowska J. Naringenin and its derivatives—health-promoting phytobiotic against resistant bacteria and fungi in humans. Antibiotics (Basel). 2022;11. Article No. 1628. doi: 10.3390/antibiotics11111628
- Kabier M., Gambacorta N., Trisciuzzi D., Kumar S., Nicolotti O., Mathew B. MzDOCK: A free ready-to-use GUI-based pipeline for molecular docking simulations. J. Comput. Chem. 2024;45:1980–1986. doi: 10.1002/jcc.27390
- Koes D.R., Baumgartner M.P., Camacho C.J. Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise. J. Chem. Inf. Model. 2013;53:1893–1904. doi: 10.1021/ci300604z
- Patel C.N., Kumar S.P., Pandya H.A., Rawal R.M. Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation. Mol. Divers. 2021;25:421–433. doi: 10.1007/s11030-020-10135-w
- Odhar H.A., Hashim A.F., Ahjel S.W., Humadi S.S. Molecular docking and dynamics simulation analysis of the human FXIIa with compounds from the Mcule database. Bioinformation. 2023;19:160–166. doi: 10.6026/97320630019160
- Land H., Humble M.S. YASARA: A tool to obtain structural guidance in biocatalytic investigations. Methods Mol. Biol. 2018;1685:43–67. doi: 10.1007/978-1-4939-7366-8_4
- Krieger E., Vriend G. New ways to boost molecular dynamics simulations. J. Comput. Chem. 2015;36:996–1007. doi: 10.1002/jcc.23899
- Acharya S., Satpathy R. Molecular docking and dynamics assessment of naringenin targeting NS3–NS4B interaction in dengue virus (DENV-2). Discover Chemistry. 2025;2. Article No. 311. doi: 10.1007/s44371-025-00409-3
- Satpathy R., Padhan P., Behera R., Ratha J. Investigating the endocrine disruption potential of sclareol through docking and molecular dynamics simulation methods. Mathematical Biology and Bioinformatics. 2025;20:122–134. doi: 10.17537/2025.20.122
- Patil R., Das S., Stanley A., Yadav L., Sudhakar A., Varma A.K. Optimized hydrophobic interactions and hydrogen bonding at the target–ligand interface lead the pathways of drug designing. PLoS One. 2010;5. Article No. e12029. doi: 10.1371/journal.pone.0012029
- Pantsar T., Poso A. Binding affinity via docking: fact and fiction. Molecules. 2018;23. Article No. 1899. doi: 10.3390/molecules23081899
- Amir M., Mohammad T., Kumar V., Alajmi M.F., Rehman M.T., Hussain A., Alam P., Dohare R., Hassan M.I. Structural analysis and conformational dynamics of STN1 gene mutations involved in coat plus syndrome. Front. Mol. Biosci. 2019;6. Article No. 41. doi: 10.3389/fmolb.2019.00041
- Weiss M.S., Brandl M., Sühnel J., Pal D., Hilgenfeld R. More hydrogen bonds for the (structural) biologist. Trends Biochem. Sci. 2001;26:521–523. doi: 10.1016/S0968-0004(01)01935-1
- Fatriansyah J.F., Boanerges A.G., Kurnianto S.R., Pradana A.F., Fadilah S.S.N., Surip S.N. Molecular dynamics simulation of ligands from Anredera cordifolia (Binahong) against the main protease (Mpro) of SARS-CoV-2. J. Trop. Med. 2022;2022. Article No. 1178228. doi: 10.1155/2022/1178228
- Eissa I., Al-Karmalawy A., Dahab M.A., Metwaly A.M., Elhady S.S., Elkaeed E.B., Darwish K.M. Molecular docking and dynamics simulation revealed the potential inhibitory activity of ACEIs against SARS-CoV-2 targeting hACE2 receptor. Front. Chem. 2021;9. Article No. 627639. doi: 10.3389/fchem.2021.627639
- Sharma K., Singh M., Sharma S.C. Revolutionizing antiviral therapeutics: in silico approaches for emerging and neglected RNA viruses. Curr. Pharm. Des. 2024;30:3276–3290. doi: 10.2174/0113816128322226240815063730
- Dass K., Prakash N., Manogar P., Murugesan R. Current insights and future perspectives of in silico molecular docking in dengue virus proteins inhibition: a review. Aspects Mol. Med. 2024;4. Article No. 100050. doi: 10.1016/j.amolm.2024.100050
- Roy D., Manumol M., Alagarasu K., Parashar D., Cherian S. Phytochemicals of different medicinal herbs as potential inhibitors against dengue serotype 2 virus: a computational approach. Mol. Biotechnol. 2024;66:1–14. doi: 10.1007/s12033-024-01282-8
- Fatriansyah J.F., Rizqillah R.K., Yandi M.Y. Molecular docking and molecular dynamics simulation of fisetin, galangin, hesperetin, hesperidin, myricetin, and naringenin against polymerase of dengue virus. J. Trop. Med. 2022;2022. Article No. 7254990. doi: 10.1155/2022/7254990
- Arafah A., Rehman M.U., Mir T.M., Wali A.F., Ali R., Qamar W., Khan R., Ahmad A., Aga S.S., Alqahtani S. et al. Multi-therapeutic potential of naringenin (4′,5,7-trihydroxyflavonone): Experimental evidence and mechanisms. Plants. 2020;9. Article No. 1784. doi: 10.3390/plants9121784
- Yang J., Zhou Y., Ban Y., Mi J., He Y., Li X., Wang K., Zhu G., Liu W., Tan Z., et al. Development of naringenin-O-alkylamine derivatives as multifunctional agents for the treatment of Alzheimer’s disease. J. Enzyme Inhib. Med. Chem. 2022;37:792–816. doi: 10.1080/14756366.2022.2041627
- Lather A., Sharma S., Khatkar A. Naringenin derivatives as glucosamine-6-phosphate synthase inhibitors: synthesis, antioxidants, antimicrobial, preservative efficacy, molecular docking and in silico ADMET analysis. BMC Chem. 2020;14. Article No. 41. doi: 10.1186/s13065-020-00693-3
- Souza R.O.D., Hilgenberg L.C., Pinto A.C., Costa R.A., Simplicio F.G., Lima E.S. Novel flavanone naringenin derivative with anti-inflammatory activity. J. Braz. Chem. Soc. 2024;35. Article No. e-20230157. doi: 10.21577/0103-5053.20230157
- Mohammed N.H., Mostafa M.I., Al-Taher A.Y. Augmentation effects of novel naringenin analogues and ciprofloxacin as inhibitors for Nora efflux pump (EPIs) and pyruvate kinase (PK) against MRSA. J. Anim. Vet. Adv. 2015;14:386–392.
- Chakraborty P., Acharya K., Sarkar J., Habtemariam S., Sharifi-Rad J., Cho W.C. Antiviral activities of naringenin and its derivatives as adjuvant treatment against SARS-CoV-2 infections. In: Anti-SARS-CoV-2 Activity of Flavonoids. Boca Raton: CRC Press. P. 218–222. doi: 10.1201/9781003433200-18
- Frabasile S., Koishi A.C., Kuczera D., Silveira G.F., Verri W.A. Jr., Duarte dos Santos C.N., Bordignon J. The citrus flavanone naringenin impairs dengue virus replication in human cells. Sci. Rep. 2017;7. Article No. 41864. doi: 10.1038/srep41864
- Rajasekar M. Adverse effect of synthesized naringenin derivatives investigated with zebrafish (Danio rerio) embryos. Results Chem. 2020;2. Article No. 100039. doi: 10.1016/j.rechem.2020.100039
- Ávila E.P., Mendes L.A., De Almeida W.B., Dos Santos H.F., De Almeida M.V. Conformational analysis and reactivity of naringenin. J. Mol. Struct. 2021;1245. Article No. 131027. doi: 10.1016/j.molstruc.2021.131027
- Kasat Y.K., Potale Y., Kumar A., Jamwal V. Exploring the pharmacological potential of naringenin and its nanopArticle No.s: A review on bioavailability and solubility enhancement strategies. In: BIO Web Conf. 2024;86. Article No. 01030. doi: 10.1051/bioconf/20248601030
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