Advanced Journal of Chemistry, Section A
5.9(Q2)
CiteScore
31
h-index

Revealing the Dengue Antiviral Activity of Baper Tea Polyherbal: In Silico and In Vitro Approaches for the NS2B/NS3 Protease Inhibitors

Articles in Press

Document Type : Short Communication

Authors

I Made Dwi Mertha Adnyana 1, 2, 3
Ni Luh Gede Sudaryati 4
Teguh Hari Sucipto 5
Radinal Kautsar 6
Niken Irfa Nastiti 1
Annissa Delfira 1
Zahra Frizki Asty 1
. Hafizah 7
Denok Tri Hardiningsih 8
Tengku Arief Buana Perkasa 9

1 Department of Microbiology and Parasitology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia

2 Associate Epidemiologists, Indonesian Society of Epidemiologists, Special Capital Region of Jakarta-10560, Indonesia

3 Royal Society of Tropical Medicine and Hygiene, London, United Kingdom

4 Department of Biology, Faculty of Information Technology and Science, Universitas Hindu Indonesia, Denpasar-80236, Indonesia

5 Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya-60115 Indonesia

6 Master Program of Biology, Faculty of Biology, Universitas Gadjah Mada, Daerah Istimewa Yogyakarta- 55281, Indonesia

7 Department of Physiology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia

8 Department of Phytopharmacy, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia

9 Department of Biochemistry and Medical Biology, Faculty of Medicine and Health Sciences, Universitas Jambi, Jambi-36361, Indonesia

10.48309/ajca.2026.569340.2017
Abstract
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.

Graphical Abstract

Revealing the Dengue Antiviral Activity of Baper Tea Polyherbal: In Silico and In Vitro Approaches for the NS2B/NS3 Protease Inhibitors

Keywords

Dengue virus
Antiviral
Protease inhibitors
Drug discovery
Phytotherapy

Subjects

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Advanced Journal of Chemistry, Section A

Articles in Press, Accepted Manuscript
Available Online from 23 February 2026

  • Receive Date 28 December 2025
  • Revise Date 16 January 2026
  • Accept Date 08 February 2026

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