ANALISIS MOLEKULER KANDUNGAN KIMIA TANAMAN SEREH (Cymbopogon citratus) DAN CENGKEH (Syzygium aromaticum) SEBAGAI KANDIDAT TERAPI COVID-19 DENGAN METODE PENAMBATAN MOLEKULER

FISMASARI, AMARA (2021) ANALISIS MOLEKULER KANDUNGAN KIMIA TANAMAN SEREH (Cymbopogon citratus) DAN CENGKEH (Syzygium aromaticum) SEBAGAI KANDIDAT TERAPI COVID-19 DENGAN METODE PENAMBATAN MOLEKULER. Skripsi thesis, Universitas Setia Budi.

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Abstract

Coronavirus Disease 2019 (COVID-19) is a disease caused by infection with the SARS-CoV-2 type of coronavirus. Lemongrass (Cymbopogon citratus) and clove (Syzygium aromaticum) has antiviral activity by inhibiting NO production and iNOS expression in dendritic cells and inhibiting helicase enzymes in the viral replication process. This study aims to determine the prediction of the interaction pattern and the pharmacokinetic profile of compounds contained in lemongrass and cloves. This research was conducted using the PLANTS molecular docking method with 14 chemical compounds in lemongrass and cloves also receptors of COVID-19 (PLpro, 3CLpro, and RdRp). The parameters of the molecular docking are interaction patterns, amino acid similarity, and binding pocket. Parameters predicted for pharmacokinetic profiles are absorption, distribution, metabolism, excretion, and toxicity using ADMETLab 2.0. The results showed that several compounds from lemongrass and cloves had patterns of interaction and affinity, similarity in amino acids, and good binding pockets to COVID-19’s receptors. Citronellol, luteolin, geranyl acetate, quercetin, isoscoparin, and cynaroside in lemongrass had a good interaction pattern with receptors. Quercetin, isobiflorin, kaempferol, biflorin, and bicornin from cloves had a good interaction with receptors. Prediction of the ADMET profile obtained that isoscoparin and cynaroside from lemongrass and bicornin, biflorin, and iso biflorin from clove had good predictions of pharmacokinetic and toxicity profiles. Keyword : COVID-19, Cymbopogon citratus, Syzygium aromaticum, PLANTS, ADMETLab 2.0

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	COVID-19, Cymbopogon citratus, Syzygium aromaticum, PLANTS, ADMETLab 2.0
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	29 Sep 2022 04:37
Last Modified:	29 Sep 2022 04:37
URI:	http://repo.setiabudi.ac.id/id/eprint/5249

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