Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold

Calixarene derivatives are reported as potential therapeutic agents. Azo derivatives of calixarenes have not been given much consideration to explore their biomedical applications. In the present study, some azo-based derivatives of calix[4]arene were synthesized and characterized and their antibact...

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Main Authors:	Ali, Yousaf, Muhamad Bunnori, Noraslinda, Susanti, Deny, Muhammad Alhassan, Alhassan, Abd Hamid, Shafida
Format:	Article
Language:	English English English
Published:	Frontiers Media SA 2018
Subjects:	QD Chemistry RM Therapeutics. Pharmacology
Online Access:	http://irep.iium.edu.my/64223/ http://irep.iium.edu.my/64223/ http://irep.iium.edu.my/64223/ http://irep.iium.edu.my/64223/7/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based%20calix_SCOPUS.pdf http://irep.iium.edu.my/64223/13/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based.pdf http://irep.iium.edu.my/64223/14/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based_WOS.pdf

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spelling	iium-642232019-02-12T03:01:20Z http://irep.iium.edu.my/64223/ Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold Ali, Yousaf Muhamad Bunnori, Noraslinda Susanti, Deny Muhammad Alhassan, Alhassan Abd Hamid, Shafida QD Chemistry RM Therapeutics. Pharmacology Calixarene derivatives are reported as potential therapeutic agents. Azo derivatives of calixarenes have not been given much consideration to explore their biomedical applications. In the present study, some azo-based derivatives of calix[4]arene were synthesized and characterized and their antibacterial and antiviral potentials were studied. The mono azo products of sulphanilamide, sulfaguanidine and 2-methyl-4-aminobenzoic acid showed good activity against bacterial strains with minimum inhibition concentration values ranging from 0.97 to 62.5 μg/mL. For mono azo products, the diazotized salt was applied as a limiting reagent. The use of calix[4]arene and sodium acetate trihydrate in 1:3 (molar ratio) helped in partial substitution. Molecular docking was performed to see the interaction of the designed compounds with two bacterial and one viral (neuraminidase) receptor. Some of the derivatives showed good interaction with the active site of bacterial and neuraminidase enzymes through hydrogen, hydrophobic and pi-pi interactions, and could inhibit the activity of the selected enzymes. Frontiers Media SA 2018-06-12 Article PeerReviewed application/pdf en http://irep.iium.edu.my/64223/7/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based%20calix_SCOPUS.pdf application/pdf en http://irep.iium.edu.my/64223/13/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based.pdf application/pdf en http://irep.iium.edu.my/64223/14/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based_WOS.pdf Ali, Yousaf and Muhamad Bunnori, Noraslinda and Susanti, Deny and Muhammad Alhassan, Alhassan and Abd Hamid, Shafida (2018) Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold. Frontiers in Chemistry, 6. pp. 1-10. ISSN 2296-2646 https://www.frontiersin.org/articles/10.3389/fchem.2018.00210/full 10.3389/fchem.2018.00210
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English English English
topic	QD Chemistry RM Therapeutics. Pharmacology
spellingShingle	QD Chemistry RM Therapeutics. Pharmacology Ali, Yousaf Muhamad Bunnori, Noraslinda Susanti, Deny Muhammad Alhassan, Alhassan Abd Hamid, Shafida Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
description	Calixarene derivatives are reported as potential therapeutic agents. Azo derivatives of calixarenes have not been given much consideration to explore their biomedical applications. In the present study, some azo-based derivatives of calix[4]arene were synthesized and characterized and their antibacterial and antiviral potentials were studied. The mono azo products of sulphanilamide, sulfaguanidine and 2-methyl-4-aminobenzoic acid showed good activity against bacterial strains with minimum inhibition concentration values ranging from 0.97 to 62.5 μg/mL. For mono azo products, the diazotized salt was applied as a limiting reagent. The use of calix[4]arene and sodium acetate trihydrate in 1:3 (molar ratio) helped in partial substitution. Molecular docking was performed to see the interaction of the designed compounds with two bacterial and one viral (neuraminidase) receptor. Some of the derivatives showed good interaction with the active site of bacterial and neuraminidase enzymes through hydrogen, hydrophobic and pi-pi interactions, and could inhibit the activity of the selected enzymes.
format	Article
author	Ali, Yousaf Muhamad Bunnori, Noraslinda Susanti, Deny Muhammad Alhassan, Alhassan Abd Hamid, Shafida
author_facet	Ali, Yousaf Muhamad Bunnori, Noraslinda Susanti, Deny Muhammad Alhassan, Alhassan Abd Hamid, Shafida
author_sort	Ali, Yousaf
title	Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
title_short	Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
title_full	Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
title_fullStr	Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
title_full_unstemmed	Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
title_sort	synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
publisher	Frontiers Media SA
publishDate	2018
url	http://irep.iium.edu.my/64223/ http://irep.iium.edu.my/64223/ http://irep.iium.edu.my/64223/ http://irep.iium.edu.my/64223/7/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based%20calix_SCOPUS.pdf http://irep.iium.edu.my/64223/13/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based.pdf http://irep.iium.edu.my/64223/14/64223_Synthesis%2C%20in-vitro%20and%20in%20silico%20studies%20of%20azo-based_WOS.pdf
first_indexed	2023-09-18T21:31:06Z
last_indexed	2023-09-18T21:31:06Z
_version_	1777412516403478528

Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold

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