Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors

Jusoh, Noorakmar and Abd Hamid, Shafida and Muhamad Bunnori, Noraslinda (2016) Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors. In: International Conference In Organic Synthesis 2016 (ICOS 2016), 21st-24th August 2016, Kuching, Sarawak. (Unpublished)

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Abstract

Recent outbreaks of highly pathogenic and occasional drug-resistant influenza strains have highlighted the need to develop novel anti-influenza therapeutics. Here, we design, synthesized, and report computational analysis of carvone derivatives as potential neuraminidase inhibitors. A series of carvone derivatives were synthesized by following a four-step strategies. All isolated compounds obtained were elucidated using 1H NMR, 13C NMR, and CHNS analysis. Docking studies were performed using AutoDock 3.0.5 to study the interactions of the neuraminidase (NA) with the ligands. Based on docking analysis, compound 3 was found to interact better in NA active site compared other compounds with the lowest free energy binding of -7.39 kcal/mol.

Item Type:	Conference or Workshop Item (Slide Presentation)
Additional Information:	5980/52646
Uncontrolled Keywords:	Neuraminidase inhibitors; Carvone; Docking; Anti-influenza
Subjects:	Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Science > Department of Chemistry
Depositing User:	Dr. Noraslinda Muhamad Bunnori
Date Deposited:	28 Nov 2016 14:49
Last Modified:	28 Nov 2016 14:49
URI:	http://irep.iium.edu.my/id/eprint/52646

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