ANALISIS DOCKING MOLEKULER SENYAWA QUERSETIN, GUAIJAVARIN DAN MORIN-3-O-α-L-ARABOPIRANOSIDA SEBAGAI ANTIBAKTERI

Fadilla, Raisa (2016) ANALISIS DOCKING MOLEKULER SENYAWA QUERSETIN, GUAIJAVARIN DAN MORIN-3-O-α-L-ARABOPIRANOSIDA SEBAGAI ANTIBAKTERI. Tesis thesis, Universitas Setia Budi Surakarta.

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Abstract

Guava leaves have been shown to have antibacterial activity and have been widely used for the prevention and therapeutic treatment of diarrhea. Guava leaves contain many compounds which possess antibacterial activity. Some of these compounds include quersetin, guaijavarin and morin-3-O-α-Llyxopyranoside. This study aims to understand the interaction and interaction patterns quersetin, guaijavarin and morin-3-O-α-L-arabopiranosida of guava leaves (P. guajava L.) on 9 molecule biology antibacterial targets through molecular docking. Molecule biology antibacterial targets used, among other proteins SleB, protein SleL, maltoporin, Agga (aggregative adherence fimbriae/1), Bc1960 peptidoglycan N-acetylglucosamine deacetylase, phosphatidylcholinephospholipase C Bc, phospholipase C regulator + PapR, penicillin binding protein 3 E.coli (transferase) and (gyrase + 4.5-dibromopyrolamide-based inhibitor (isomerase). In this study, molecular docking performed on quersetin, guaijavarin and morin-3-O-α-L-lyxopyranoside of guava leaves (P. guajava L.) as ligands to the proteins SleB (4F55), protein SleL (4S3J), maltoporin (1MPR), Agga (aggregative adherence fimbriae/1) (4PH8), Bc1960 peptidoglycan N-acetylglucosamine deacetylase (4L1G), phosphatidylcholine-phospholipase C Bc (2HUC), phospholipase C regulator + PapR (2QFC), penicillin binding protein 3 E. coli (transferase) (4BJP) and gyrase + 4.5-dibromopyrolamide-based inhibitor (isomerase) (4ZVI) as a target using the software Autodock Vina and PyMOL as visualization tools. Compounds guaijavarin, morin-3-O-α-L-arabopiranosida and quersetin of guava leaves (P. guajava L.) have a good interaction of 7 molecule biology antibacterial targets because it can bind to the active site and protein residues of protein macromolecules 4F55, 1MPR, 4L1G, 2HUC, 2QFC, 4ZVI and 4BJP with ΔGbind range -6,5-9,6 kcal/mol and shows the interaction patterns that resemble the native ligand to the protein macromolecules 2QFC and 4ZVI seen from visual observation. __________________________________________________________________ Keywords: Diarrhea, molecular docking, Autodock Vina, PyMOL, quersetin, guaijavarin, morin-3-O-α-L-lyxopyranoside

Item Type:	Thesis (Tesis)
Uncontrolled Keywords:	Diarrhea, molecular docking, Autodock Vina, PyMOL, quersetin, guaijavarin, morin-3-O-α-L-lyxopyranoside
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S2 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	10 Feb 2020 02:47
Last Modified:	10 Feb 2020 02:47
URI:	http://repo.setiabudi.ac.id/id/eprint/2153

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