ANALISIS DOCKING MOLEKULER SENYAWA FLAVONOID DAN STEROID TERHADAP ENZIM SIKLOOKSIGENASE DAN FOSFOLIPASE

AL KARIM, Muksin (2018) ANALISIS DOCKING MOLEKULER SENYAWA FLAVONOID DAN STEROID TERHADAP ENZIM SIKLOOKSIGENASE DAN FOSFOLIPASE. Skripsi thesis, Universitas Setia Budi Surakarta.

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Abstract

There are two enzymes affects in the inflammatory process, which are phospholipase A2 (PLA2) and cyclooxygenase (COX). In this study, flavonoids and steroids were used as ligands and PLA2, COX-1 and COX-2 enzymes as molecular targets to determine drug interactions with receptors and predicted ADMET. This study predicted the interaction between steroids with PLA2 flavonoids, and curcuminoid with COX. Dexametason as ligand for PLA2, meloxicam as ligand for COX-1 and celecoxib as ligands for COX-2 used as standard.and then docking using PyRx 0.8 software, then visualized using Discovery Studio Visualizer and PyMol, and ADMET predicted using SwissADME The results showed that Cucurbitacin R and dehydrocucurbitacin B interacted with a response similar to dexamethasone to PLA2, whereas Flavonoid apigenin and luteolin interacted with a response similar to meloxicam to COX-1 and diosmetin most closely resembled celecoxib in COX-2 and ADME prediction showed flavonoid compounds eligible for the Lipinski rule, can not diffuse on the brain barrier, not the gp protein substrate, and most metabolized by CYP450, whereas cucurbitacin steroids do not meet the Lipinski rule requirements, can not diffuse in the brain barrier, are not gp protein substrate, and generally include CYP3A4 inhibitors Keywords : PLA, COX, Steroid, Flavonoid. Antiinflamas, docking, ADME

Item Type: Thesis (Skripsi)
Uncontrolled Keywords: PLA, COX, Steroid, Flavonoid. Antiinflamas, docking, ADME
Subjects: R Medicine > RS Pharmacy and materia medica
Divisions: Fakultas Farmasi > Prodi S1 Farmasi
Depositing User: Tifany Nur Arfiana
Date Deposited: 23 Feb 2019 04:18
Last Modified: 23 Feb 2019 04:18
URI: http://repo.setiabudi.ac.id/id/eprint/839

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