MOLECULAR DOCKING SENYAWA BIOAKTIF EMODIN TERHADAP RESEPTOR VEGF PADA KANKER SERVIKS

FARZANA, INNAYAH RANIA and Inggarsih, Rara and Maritska, Ziske (2024) MOLECULAR DOCKING SENYAWA BIOAKTIF EMODIN TERHADAP RESEPTOR VEGF PADA KANKER SERVIKS. Undergraduate thesis, Sriwijaya University.

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Abstract

Cervical cancer is the main cause of cancer death among woman and the third most cancer case in the world. High expression of VEGF in cervical cancer is linked to a poor prognosis, therefore anti-VEGF therapy has an important role in cervical cancer resolution. Several studies show that emodin inhibit proliferation, migration, and a formation of endothelial cells stimulated by VEGF. This research aims to discover the interaction of the bioactive compound emodin with VEGF receptor in cervical cancer with in silico using molecular docking. Molecular docking involves several steps, starting with the preparation of the bioactive compound structure, preparation of the target protein structure, validation of the molecular docking method, and docking of the bioactive compound to the target protein. A lower binding energy value between the bioactive compound and the target protein indicates that the formed bond is stronger and more stable. The docking results showed the binding energy from VEGFR2-emodin complex is -7.78 kcal/mol with three hydrogen bonds formed with GLU915, CYS917, LEU838 amino acids and three van der Waals formed with PHE916, GLY920, VAL 846 amino acids. There is an interaction between the bioactive compound, emodin and VEGFR2, characterized by a good binding value (-7,78 kkal/mol) and formed a stable binding characterized by 3 hydrogen bonds and 3 van der Waals interactions.

Item Type:	Thesis (Undergraduate)
Uncontrolled Keywords:	Molecular Docking, Emodin, VEGFR2, Kanker Serviks
Subjects:	R Medicine > R Medicine (General) > R5-920 Medicine (General) R Medicine > R Medicine (General) > R702-703 Medicine and the humanities. Medicine and disease in relation to history, literature, etc. R Medicine > R Medicine (General) > R855-855.5 Medical technology
Divisions:	04-Faculty of Medicine > 11201-Medicine (S1)
Depositing User:	Innayah Rania Farzana
Date Deposited:	18 Dec 2024 02:27
Last Modified:	18 Dec 2024 02:27
URI:	http://repository.unsri.ac.id/id/eprint/160705

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