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All Journal Jurnal Farmasi Indonesia
Haiyul Fadhli
Sekolah tinggi ilmu farmasi Riau, Jl Kamboja Panam Pekanbaru Inodnesia, 28293
Medicine & Pharmacology

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Identifikasi Inhibitor Protease NS2B/NS3 Virus Dengue Berbasis Flavonol melalui Farmakologi Jaringan dan Penambatan Molekuler Neni Frimayanti; Haiyul Fadhli; Mazani Febrina
JFIOnline | Print ISSN 1412-1107 | e-ISSN 2355-696X Vol 18 No 2 (2026): Jurnal Farmasi Indonesia
Publisher : Pengurus Pusat Ikatan Apoteker Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35617/jfionline.v18i2.970

Abstract

The dengue virus still poses a serious threat to world health, and there are still few effective inhibitors that target the NS2B/NS3 protease. This study used an integrated in silico methodology to find possible anti-dengue candidates from Artocarpus heterophyllus flavonol molecules. After investigating compound–target relationships using network pharmacology, structure-based molecular docking was used to evaluate binding affinities toward the NS2B/NS3 protease (PDB ID: 2FOM), and ADME profiling was included. Compounds 6 and 9 outperformed the other ligands in the evaluation in terms of expected binding energies and stable accommodation in the active site, which included close spatial interaction with the residues of the catalytic triad (His51, Asp75, and Ser135). For the most part, their anticipated pharmacokinetic characteristics were within reasonable bounds for early-stage medication candidates. All things considered, our findings suggest that the chosen flavonols would be good places to start when developing dengue antivirals; still, further experimental testing is necessary to confirm their biological activity.
Co-Authors Mazani Febrina Neni Frimayanti