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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/52646/29/52646.pdf
http://irep.iium.edu.my/52646/
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spelling my.iium.irep.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 REM 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 (Unpublished)
institution Universiti Islam Antarabangsa Malaysia
building IIUM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider International Islamic University Malaysia
content_source IIUM Repository (IREP)
url_provider http://irep.iium.edu.my/
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/52646/29/52646.pdf
http://irep.iium.edu.my/52646/
_version_ 1643614201867927552
score 13.211869

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