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2-acetylpyrazine thiosemicarbazone as multifunctional food spoilage inhibitor: insights from Tyrosinase Kinetic, microbial activity and computational approaches

Shamsuri, Syamimi Sulfiza and Abdullah, Erna Normaya and Ahmad, Mohammad Norazmi (2021) 2-acetylpyrazine thiosemicarbazone as multifunctional food spoilage inhibitor: insights from Tyrosinase Kinetic, microbial activity and computational approaches. In: 33rd International Conference of Analytical Sciences (SKAM33), University of Malaya (UM): Virtual conference. (Unpublished)

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Abstract

Nowadays, the demand of high-quality food has increased among the consumers. However, their appearance and color are the critical factors during food purchasing. Therefore, maintaining of their shelf life has become a challenge to food industries. Chemical and biological oxidation have been identified as the main factors that affect the food quality. In this study, 2-acetylpyrazine thiosemicarbazone (2APT) has been synthesized, and characterized using spectroscopy methods. Based on the IC50 obtained, it shows that 2APT was significantly inhibited tyrosinase activity (chemical spoilage) at 8 μM concentration. Kinetic study shows that 2APT was a mixed-type inhibitor with Km and Vmax value were 8.20 mM and 0.013 μM/min, respectively. 2APT also inhibits E. coli, B. cereus, and C. albican at concentrations of 1.4 ± 0.1 cm, 1.6 ± 0.1 cm, and 1.2 ± 0.1 cm, respectively. In the light of these study, we performed in silico study involving Reduced Density Gradient (RDG), Molecular Electrostatic Potential (MEP) and molecular docking simulation technique. RDG used to find the weak non-covalent interaction (Van der Wall interaction) and strong repulsion (steric effect) of the 2APT. MEP and molecular docking were done to identify and investigate the key structural features of 2APT that are important for their activity and the interaction that contribute to tyrosinase inhibition, respectively.

Item Type: Conference or Workshop Item (Slide Presentation)
Uncontrolled Keywords: Thiosemicarbazone (TCT) derivatives; tyrosinase inhibitors; antibacterial activity; Reduced Density Gradient (RDG); Molecular Electrostatic Potential; (MEP); molecular docking
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Science > Department of Chemistry
Depositing User: Dr Mohammad Norazmi Ahmad
Date Deposited: 06 Oct 2021 21:46
Last Modified: 07 Oct 2021 03:31
URI: http://irep.iium.edu.my/id/eprint/92453

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