Revealing the Dengue Antiviral Activity of Baper Tea Polyherbal: In Silico and In Vitro Approaches for the NS2B/NS3 Protease Inhibitors
نویسندگان
1 Associate Epidemiologists, Indonesian Society of Epidemiologists, Special Capital Region of Jakarta-10560, Indonesia
2 Department of Biology, Faculty of Information Technology and Science, Universitas Hindu Indonesia, Denpasar-80236, Indonesia
3 Master Program of Biology, Faculty of Biology, Universitas Gadjah Mada, Daerah Istimewa Yogyakarta- 55281, Indonesia
4 Department of Microbiology and Parasitology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia
5 Department of Physiology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia
6 Department of Microbiology and Parasitology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia
7 Royal Society of Tropical Medicine and Hygiene, London, United Kingdom
8 Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya-60115 Indonesia
9 Department of Microbiology and Parasitology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia
10 Department of Microbiology and Parasitology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia
doi
10.48309/ajca.2026.569340.2017چکیده
Dengue virus serotype 4 (DENV-4) remains a significant global health burden, and no specific antiviral therapy has been approved to date. The exploration of plant-derived compounds as potential antiviral agents targeting the NS2B/NS3 protease complex represents a promising but largely underexplored therapeutic strategy. This study aimed to evaluate the antiviral activity of Baper Tea polyherbal against DENV-4 by targeting the NS2B/NS3 protease via in silico and in vitro approaches. The cytotoxicity and antiviral activity were evaluated via MTT and Viral ToxGlo assays in DENV-4-infected Vero cells to determine the CC50, EC50, and selectivity index (SI). Ten bioactive compounds from the Baper Tea polyherbal infusion were subjected to molecular docking against the NS2B/NS3 protease (PDB: 5YVU) via AutoDock Vina 1.2.0, and the binding interactions were analyzed via Discovery Studio. Baper Tea polyherbal infusion exhibited potent antiviral activity against DENV-4, with an EC50 of 77.57 μg/mL, a CC50 of 7,345 μg/mL, and a favorable selectivity index of 94.69. Molecular docking studies revealed tetraacetyl-D-xylonic acid as the most promising compound, demonstrating a binding affinity (ΔG = -6.75 kcal/mol; Ki 11.29 μM) approximately 457-fold stronger than that of the native ligand through six hydrogen bonds with catalytic residues (LYS B:201, ASN B:416, ALA B:197, GLY B:198, GLY B:196, and ARG B:463). The secondary candidates included dihydroxanthin (ΔG -6.38 kcal/mol; Ki 21.23 μM) and 2,7-diphenyl-1,6- (ΔG -6.31 kcal/mol; Ki 23.74 μM). This study provides preliminary computational and in vitro evidence of the potential of Baper Tea polyherbal infusion constituents to inhibit NS2B/NS3 protease.
