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...
| Main Authors: | , , |
|---|---|
| Format: | Proceeding Paper |
| Language: | English |
| Published: |
2018
|
| Subjects: | |
| Online Access: | http://irep.iium.edu.my/66836/ http://irep.iium.edu.my/66836/1/66836_SYNTHESIS%2C%20CHARACTERIZATION.pdf |
| _version_ | 1848786654674812928 |
|---|---|
| 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 |
| building | IIUM Repository |
| collection | Online Access |
| 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. |
| first_indexed | 2025-11-14T17:12:29Z |
| format | Proceeding Paper |
| id | iium-66836 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T17:12:29Z |
| publishDate | 2018 |
| recordtype | eprints |
| repository_type | Digital Repository |
| 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 Proceeding Paper 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 |
| 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 |
| title | 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_short | 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 |
| topic | QD Chemistry |
| 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 |