Evidence map›Paper›PMID 39841317›Full record

ArticleMolecular diversity2025

Evaluation of methoxyflavones as dengue NS2B-NS3 protease inhibitors: an in silico and in vitro studies.

Nur Farhana Mustafa, Kian-Kai Cheng, Siti Aisyah Razali, Habibah A Wahab, Nurul Hanim Salin, Iffah Izzati Zakaria, Muhammad Helmi Nadri

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Article in Molecular diversity, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
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0citing papers in PubMed
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1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Nur Farhana MustafaFaculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, Johor Bahru, Johor, Malaysia.
Kian-Kai ChengFaculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, Johor Bahru, Johor, Malaysia.
Siti Aisyah RazaliFaculty of Science and Marine Environment, Universiti Malaysia Terengganu, Nerus, 21030, Kuala Terengganu, Terengganu, Malaysia.
Habibah A WahabSchool of Pharmaceutical Sciences, Universiti Sains Malaysia, 11800, Minden, Pulau Pinang, Malaysia.
Nurul Hanim SalinMalaysian Institute of Pharmaceuticals and Nutraceuticals, National Institutes of Biotechnology Malaysia, Halaman Bukit Gambir, 11700, Gelugor, Pulau Pinang, Malaysia.
Iffah Izzati ZakariaMalaysia Genome and Vaccine Institute, National Institutes of Biotechnology Malaysia, Jalan Bangi, 43000, Kajang, Selangor, Malaysia.
Muhammad Helmi NadriDepartment of Biosciences, Faculty of Science, Universiti Teknologi Malaysia, 81310, Johor Bahru, Johor, Malaysia. muhammad.helmi@utm.my.

Funding

Ministry of Higher Education, Malaysia FRGS/1/2021/STG01/UTM/02/8
6 · The paper itself

Abstract

Dengue is one of the most prevalent viruses transmitted by the Aedes aegypti mosquitoes. Currently, no specific medication is available to treat dengue diseases. The NS2B-NS3 protease is vital during post-translational processing, which is a key target in this study. Due to methoxy group substitution, methoxyflavones are more bioavailable and metabolically stable than hydroxylated flavones. To date, research on the anti-dengue activity of methoxyflavones is limited. Hence, this work aims to determine the inhibitory activity of methoxyflavones against the dengue NS2B-NS3. Methoxyflavones derivatives were screened using molecular docking. The result showed a strong binding interaction of compound 1 and compound 2 with NS2B-NS3 protease. Both compounds exhibited comparable binding energy as the reference compound, quercetin, with values lower than - 8.1 kcal/mol. Molecular dynamics simulation using GROMACS revealed the stability and stiffness of the complexes over a 100 ns time scale. In addition, an in vitro assay for NS2B-NS3 protease inhibition revealed inhibitory effects of compounds 1 and 2 with IC

Indexed as

Antiviral AgentsDengue VirusFlavonesProtease InhibitorsSerine EndopeptidasesViral Nonstructural ProteinsMolecular Docking SimulationMolecular Dynamics SimulationViral ProteasesAntiviral AgentsFlavonesNS2B protein, flavivirusNS3 protease, dengue virusProtease InhibitorsSerine EndopeptidasesViral Nonstructural ProteinsViral ProteasesADMETDengue NS2B–NS3 proteaseIn vitroMethoxyflavonesMolecular simulation

Identifiers

PMID39841317

What OpenQuestion holds

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.