ANALISIS PENAMBATAN MOLEKULER SENYAWA KANDUNGAN TANAMAN BUAH ANGGUR (Vitis vinifera) TERHADAP RESEPTOR COVID-19 DAN PREDIKSI PROFIL FARMAKOKINETIKA

Renaldy, Renaldy (2022) ANALISIS PENAMBATAN MOLEKULER SENYAWA KANDUNGAN TANAMAN BUAH ANGGUR (Vitis vinifera) TERHADAP RESEPTOR COVID-19 DAN PREDIKSI PROFIL FARMAKOKINETIKA. Skripsi thesis, Universitas Setia Budi.

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Abstract

Covid-19 (Coronavirus disease) is a disease caused by the SARS-COV-2 virus for which no cure has been found, but it has been reported that the active compounds of grapes can inhibit the SARSCOV-2 protein. This study aims to predict the affinity and interaction patterns of grape fruit chemical compounds with target proteins and predict their pharmacokinetic profiles as covid-19 antiviral candidates. Molecular tethering analysis was carried out by the Autodock Vina method. Selection of test compounds based on literature studies and web servers of Phytochem and Pubchem by looking at the parameters of Lipinski's rule of five. The selection of covid-19 target proteins is based on literature studies and the Protein Data Bank (PDB) web server. Visualization of molecular tethering results using Autodock PyRx, PyMOL, and Biovia DS. Prediction of pharmacokinetic properties profiles using the ADMETLab 2 web server. The results of the prediction of molecular tethering show that several chemical compounds of grapes, namely ellagic acid, myricetin, and resveratrol compounds, have good interaction results on the target protein PLpro (PDB: 7CJM). The compounds cinnamaldehyde, ferullic acid, and vanillin had good interaction results on the target protein 3CLpro (PDB:6M2N). Ellagic acid and gallic acid compounds have good interaction results on the target protein RdRp (PDB:7ED5). Compounds of ellagic acid, resveratrol, ferullic acid, and gallic acid have good predictions of pharmacokinetic profile and toxicity. Keywords: Covid-19, grape (Vitis Vinifera), docking molecular, Autodock Vina, ADMETLab 2.0

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Covid-19, grape (Vitis Vinifera), docking molecular, Autodock Vina, ADMETLab 2.0
Subjects:	R Medicine > RS Pharmacy and materia medica R Medicine > RV Botanic, Thomsonian, and eclectic medicine
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	03 Jul 2023 04:29
Last Modified:	03 Jul 2023 04:29
URI:	http://repo.setiabudi.ac.id/id/eprint/5958

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