ANALISIS PENAMBATAN MOLEKULER KANDUNGAN KIMIA JINTAN HITAM (Nigella sativa L.) TERHADAP TARGET TERAPI INFLAMASI

Saputri, Vellyas Hadi (2021) ANALISIS PENAMBATAN MOLEKULER KANDUNGAN KIMIA JINTAN HITAM (Nigella sativa L.) TERHADAP TARGET TERAPI INFLAMASI. Skripsi thesis, Universitas Setia Budi.

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Abstract

Black cumin (Nigella sativa L.) has been known to have anti-inflammatory properties. Enzymes that play a role of infammatory way are phospholipids A2 and cyclooxygenase (COX).The purposes of this study was to determine the interaction between compounds that contain black cumin based on its conformation score and find the pharmacokinetic profile prediction of black cumin compounds. The method used in this study was docking molecular by software of MarvinSkecth, VegaZZ, Autodock 4, PyMOL and Discovery Studio. The lower the bond energy value between the test compound and the target, the more stable the complex formed. Compounds that successfully bind to the target protein were tested for pharmacokinetic profiles using ADMETLab to determine the ADME profile of compounds which have the potential to be used as an anti-inflammatory. Black cumin displays potential for used as an anti-inflammatory drug for targeting protein cox-2, phospholipase a2, and p38 MAPK due to the presence of thymoquinone and nigellimine the pharmacokinetic profiles of thymoquenon for the lipinski rule, could not diffuse on the brain barrier, not the gp protein substrate, and most metabolized by cyp450, whereas nigellimine did not met the lipinski rule requirements, could not diffuse in the brain barrier, were not gp protein substrate, and generally include cyp3a4 inhibitors. Keywords: Inflammation, black cumin, Nigella sativa, molecular docking, COX-2, phospholipase A2, and p38 MAPK.

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Inflammation, black cumin, Nigella sativa, molecular docking, COX-2, phospholipase A2, and p38 MAPK.
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	05 Aug 2022 01:35
Last Modified:	05 Aug 2022 01:35
URI:	http://repo.setiabudi.ac.id/id/eprint/5054

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