In-silico comparison of drugs and natural compounds towards inflammation disease / Azzatul Amira Azman

Azman, Azzatul Amira and Mohd Mokhlis, Nur Hannah and Musthafa, Ahmad Adib Asyraf and Ariza Fattah, Muhammad Zahin Ikhwan In-silico comparison of drugs and natural compounds towards inflammation disease / Azzatul Amira Azman. [Student Project] (Unpublished)

Abstract

The study on the inhibition of Interleukin-1, Cyclooxygenase-2, Toll-like receptor 4, and Human Phospholipase A2 was an important approach for inflammation treatment. The inhibition of the protein target of inflammation, Interleukin-1, Cyclooxygenase-2, Toll-like receptor 4, and Human Phospholipase A2 using synthetic and natural inhibitors were studied. Synthetic compounds Ibuprofen, Flurbiprofen, and Indomethacin and natural compounds such as Curcumin, Gallic acid, Artemisinin, Rosmarinic acid, and Andrographolide was used in this study. The purpose of this research is to identify the potential inhibitor of natural compound as anti-inflammation towards Interleukin-1, Cyclooxygenase-2, Toll-like receptor 4, and Human Phospholipase A2. In this research, molecular docking methods were used to identify the compound that has the best interaction energy towards the Interleukin-1, Cyclooxygenase-2, Toll-like receptor 4, and Human Phospholipase A2 protein targets. In structure-based drug design, molecular docking method is used because of their ability to predict the binding-conformation of small-molecule ligands to the target binding site as the main objective of molecular docking is to attain a ligand-receptor complex with optimized conformation and with the intention of processing less binding free energy. The results obtained from the docking using Autodock Vina software showed that the best affinity binding was observed. The molecular interactions were then further analyzed using Discovery Studio Visualizer. Based on the molecular docking studies, Andrographolide, Artemisinin, Rosmarinic Acid and Curcumin was chosen as the potential inhibitor chosen for 5UCA, 2NRU, 3PGH for anti-inflammatory. It is hoped that this study can create new discoveries in an effort to find potential inhibitors for inflammatory disease.

Metadata

Item Type: Student Project
Creators:
Creators
Email / ID Num.
Azman, Azzatul Amira
2018280332
Mohd Mokhlis, Nur Hannah
2018656142
Musthafa, Ahmad Adib Asyraf
2018675408
Ariza Fattah, Muhammad Zahin Ikhwan
2018274438
Contributors:
Contribution
Name
Email / ID Num.
Thesis advisor
Mohamad Tap, Fatahiya
UNSPECIFIED
Subjects: Q Science > QD Chemistry > Inorganic chemistry
Q Science > QD Chemistry > Inorganic chemistry > Salts
Q Science > QR Microbiology > Microbial ecology
Q Science > QR Microbiology > Bacteria
Divisions: Universiti Teknologi MARA, Terengganu > Dungun Campus > Faculty of Chemical Engineering
Programme: Diploma in Chemical Engineering
Keywords: Ibuprofen ; Flurbiprofen ; Indomethacin ; Curcumin, Gallic Acid ; Artemisinin ; Rosmarinic Acid
URI: https://ir.uitm.edu.my/id/eprint/54966
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