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

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 carv...

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Main Authors:	Jusoh, Noorakmar, Abd Hamid, Shafida, Muhamad Bunnori, Noraslinda
Format:	Conference or Workshop Item
Language:	English
Published:	2016
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/52646/ http://irep.iium.edu.my/52646/29/52646.pdf

id	iium-52646
recordtype	eprints
spelling	iium-526462016-11-28T06:49:11Z http://irep.iium.edu.my/52646/ Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors Jusoh, Noorakmar Abd Hamid, Shafida Muhamad Bunnori, Noraslinda QD Chemistry 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. 2016-08 Conference or Workshop Item NonPeerReviewed application/pdf en http://irep.iium.edu.my/52646/29/52646.pdf 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 (Unpublished)
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	QD Chemistry
spellingShingle	QD Chemistry Jusoh, Noorakmar Abd Hamid, Shafida Muhamad Bunnori, Noraslinda Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
description	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.
format	Conference or Workshop Item
author	Jusoh, Noorakmar Abd Hamid, Shafida Muhamad Bunnori, Noraslinda
author_facet	Jusoh, Noorakmar Abd Hamid, Shafida Muhamad Bunnori, Noraslinda
author_sort	Jusoh, Noorakmar
title	Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
title_short	Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
title_full	Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
title_fullStr	Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
title_full_unstemmed	Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
title_sort	synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
publishDate	2016
url	http://irep.iium.edu.my/52646/ http://irep.iium.edu.my/52646/29/52646.pdf
first_indexed	2023-09-18T21:14:33Z
last_indexed	2023-09-18T21:14:33Z
_version_	1777411475531366400

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

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