Natural DENV-2 NS2B/NS3 protease inhibitors from Myristica cinnamomea King
| Autor: | Muhamad Aqmal Othman, Maywan Hariono, S M Abdul Wahab, Yasodha Sivasothy, Sook Yee Liew, Khalijah Awang, M S Mohd Nawi, H Abdul Wahab |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
NS3
Protease biology viruses medicine.medical_treatment Serine Endopeptidases virus diseases biochemical phenomena metabolism and nutrition Dengue Virus Viral Nonstructural Proteins biology.organism_classification Antiviral Agents Myristica Pathogenesis Molecular Docking Simulation Biochemistry medicine Protease Inhibitors Myristica cinnamomea |
| Zdroj: | Tropical biomedicine. 38(2) |
| ISSN: | 2521-9855 |
| Popis: | The NS2B/NS3 protease is crucial for the pathogenesis of the DENV. Therefore, the inhibition of this protease is considered to be the key strategy for the development of new antiviral drugs. In the present study, malabaricones C (3) and E (4), acylphenols from the fruits of Myristica cinnamomea King, have been respectively identified as moderate (27.33 ± 5.45 μM) and potent (7.55 ± 1.64 μM) DENV-2 NS2B/NS3 protease inhibitors, thus making this the first report on the DENV-2 NS2B/NS3 protease inhibitory activity of acylphenols. Based on the molecular docking studies, compounds 3 and 4 both have π-π interactions with Tyr161. While compound 3 has hydrogen bonding interactions with Gly151, Gly153 and Tyr161, compound 4 however, forms hydrogen bonds with Ser135, Asp129, Phe130 and Ile86 instead. The results from the present study suggests that malabaricones C (3) and E (4) could be employed as lead compounds for the development of new dengue antivirals from natural origin. |
| Databáze: | OpenAIRE |
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