Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone

Invasive fungal and bacteria diseases are the major cause of morbidity and mortality in the critically ill and imunocompromised patients.The impact of current situation was encouraged researcher to develop a better drug against microbial activity. Previous study has...

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Main Authors:	Jori Roslan, Muhammad Qusyairi, Abdullah, Erna Normaya, Ahmad, Mohammad Norazmi
Format:	Conference or Workshop Item
Language:	English
Published:	2018
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/66836/ http://irep.iium.edu.my/66836/ http://irep.iium.edu.my/66836/1/66836_SYNTHESIS%2C%20CHARACTERIZATION.pdf

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recordtype	eprints
spelling	iium-668362018-10-24T03:09:53Z http://irep.iium.edu.my/66836/ Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone Jori Roslan, Muhammad Qusyairi Abdullah, Erna Normaya Ahmad, Mohammad Norazmi QD Chemistry Invasive fungal and bacteria diseases are the major cause of morbidity and mortality in the critically ill and imunocompromised patients.The impact of current situation was encouraged researcher to develop a better drug against microbial activity. Previous study has reported single prologue of heteroaromatic and thiosemicarbazide have the unique ability as biomimetics as well as active pharmacophore. This study is successfully synthesised through combination of both 2- acetylthiophene and thiosemicarbazide in one molecule structure to form 2-acetylthiophenethiosemicarbazone. Both experimental and theoretical approaches have been applied to comprehend its structure synthesised compound as well as computational drug design. Structure of synthesised compound was characterized using spectroscopy methods. Computational drug design was conducted to calculate the binding interaction between protein and inhibitor. Density Functional Theory (DFT) was used to calculate the chemical properties of title compound such as highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), chemical hardness, softness, energy gap, chemical potential, and Fukui functions. Solvent determination and predictive interaction element were confirmed using COSMO-RS method calculation. The synthesised compound was tested in vitro against two Gram-positive and one Gram-negative bacterial strains which areStaphylococcus aureus, Staphylococcus epidermidis and Klebsiella pneumonia respectively and a fungus Candida Albicans . Synthesis compound was found that susceptible with all Gram-positive bacterial strain and fungus while not to Gram-negative bacterial strain. The synthesised compound was evaluated the inhibition zone and showed that Staphylococcus epidermidiswas active at concentration 100μg/mL with 16±1.5mm while Staphylococcus Aureus at 50μg/mL with 15±2.0mm of inhibition zone. Candida Albicans showed the highest active activity at concentration 50μg/mL with 19±3.2mm. 2018-08-17 Conference or Workshop Item NonPeerReviewed application/pdf en http://irep.iium.edu.my/66836/1/66836_SYNTHESIS%2C%20CHARACTERIZATION.pdf Jori Roslan, Muhammad Qusyairi and Abdullah, Erna Normaya and Ahmad, Mohammad Norazmi (2018) Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone. In: International Conference of Analytical Sciences (SKAM31), 17th-19th August 2018, Kuantan, Pahang. (Unpublished) http://www.iium.edu.my/skam31/wp-content/uploads/2018/08/SKAM31-PROGRAMME-BOOK-PART-2.pdf
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 Jori Roslan, Muhammad Qusyairi Abdullah, Erna Normaya Ahmad, Mohammad Norazmi Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
description	Invasive fungal and bacteria diseases are the major cause of morbidity and mortality in the critically ill and imunocompromised patients.The impact of current situation was encouraged researcher to develop a better drug against microbial activity. Previous study has reported single prologue of heteroaromatic and thiosemicarbazide have the unique ability as biomimetics as well as active pharmacophore. This study is successfully synthesised through combination of both 2- acetylthiophene and thiosemicarbazide in one molecule structure to form 2-acetylthiophenethiosemicarbazone. Both experimental and theoretical approaches have been applied to comprehend its structure synthesised compound as well as computational drug design. Structure of synthesised compound was characterized using spectroscopy methods. Computational drug design was conducted to calculate the binding interaction between protein and inhibitor. Density Functional Theory (DFT) was used to calculate the chemical properties of title compound such as highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), chemical hardness, softness, energy gap, chemical potential, and Fukui functions. Solvent determination and predictive interaction element were confirmed using COSMO-RS method calculation. The synthesised compound was tested in vitro against two Gram-positive and one Gram-negative bacterial strains which areStaphylococcus aureus, Staphylococcus epidermidis and Klebsiella pneumonia respectively and a fungus Candida Albicans . Synthesis compound was found that susceptible with all Gram-positive bacterial strain and fungus while not to Gram-negative bacterial strain. The synthesised compound was evaluated the inhibition zone and showed that Staphylococcus epidermidiswas active at concentration 100μg/mL with 16±1.5mm while Staphylococcus Aureus at 50μg/mL with 15±2.0mm of inhibition zone. Candida Albicans showed the highest active activity at concentration 50μg/mL with 19±3.2mm.
format	Conference or Workshop Item
author	Jori Roslan, Muhammad Qusyairi Abdullah, Erna Normaya Ahmad, Mohammad Norazmi
author_facet	Jori Roslan, Muhammad Qusyairi Abdullah, Erna Normaya Ahmad, Mohammad Norazmi
author_sort	Jori Roslan, Muhammad Qusyairi
title	Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
title_short	Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
title_full	Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
title_fullStr	Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
title_full_unstemmed	Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
title_sort	synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
publishDate	2018
url	http://irep.iium.edu.my/66836/ http://irep.iium.edu.my/66836/ http://irep.iium.edu.my/66836/1/66836_SYNTHESIS%2C%20CHARACTERIZATION.pdf
first_indexed	2023-09-18T21:34:55Z
last_indexed	2023-09-18T21:34:55Z
_version_	1777412756536819712

Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone

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