Natural DENV-2 NS2B/NS3 protease inhibitors from Myristica cinnamomea King

Sivasothy, Y. and Liew, S. Y. and Othman, M. A. and Wahab, Abdul S. M. and Hariono, M. and Nawi, Mohd M. S. and Wahab, Abdul H. and Awang, K. (2021) Natural DENV-2 NS2B/NS3 protease inhibitors from Myristica cinnamomea King. Tropical Biomedicine, 38 (2). pp. 79-84. ISSN 0127-5720, DOI

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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 mu M) and potent (7.55 +/- 1.64 mu M) 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 pi-pi 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.

Item Type: Article
Funders: Universiti Malaya [Grant No: RP001-2012A/B & UM.C/625/1/HIR/MOHE/SC/37], Centre National de la Recherche Scientifique (CNRS) [Grant No: 57-02-03-1007]
Uncontrolled Keywords: Myristica cinnamomea King; Acylphenols; Malacaricone C; Malabaricone E; DENV-2 NS2B/NS3 protease
Subjects: R Medicine > RM Therapeutics. Pharmacology
R Medicine > RX Homeopathy > Materia medica and therapeutic
Divisions: Centre for Foundation Studies in Science
Faculty of Science
Depositing User: Ms Zaharah Ramly
Date Deposited: 24 Jun 2022 02:06
Last Modified: 24 Jun 2022 02:06

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