ANALISIS BIOKEMOINFORMATIKA KANDUNGAN KIMIA TANAMAN MENGKUDU (Morinda citrifolia L.) TERHADAP TARGET ANTIKANKER PAYUDARA

Desiani, Ivana (2022) ANALISIS BIOKEMOINFORMATIKA KANDUNGAN KIMIA TANAMAN MENGKUDU (Morinda citrifolia L.) TERHADAP TARGET ANTIKANKER PAYUDARA. Skripsi thesis, Universitas Setia Budi.

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Abstract

Breast cancer is the most frequently diagnosed cancer in the world. One of the medicinal plants that can be used as a chemopreventive agent is the noni plant (Morinda citrifolia L.). The purpose of this study was to determine the protein that is predicted to be a molecular target, to determine the chemical content of the noni plant which is predicted to have the best interaction with the molecular target of breast cancer, and to determine the prediction of the pharmacokinetic parameters of noni plant compounds. Identification of chemical content using Knapsack. Identification of target proteins using SEA Search and Swiss Target Prediction. Molecular anchoring method using YASARA 19.7.20, MarvinSketch, Vega ZZ, PLANTS 1.1 software, Discovery Studio Visualizer and PubChem webserver and Protein Data Bank. Prediction of pharmacokinetic profile using ADMETlab 2.0. The results of the molecular anchoring analysis were in the form of scores and patterns of interaction between the test ligands and proteins. Scores and percentages of similarity of ligand and protein interactions compared with native ligands using diagrams. Based on the results of the study, it was found that ERα and HSP90 proteins were predicted to be molecular targets of breast cancer from the chemical content of the noni plant. The compound predicted to have the best interaction with ERα protein was daucosterol. The compounds predicted to have the best interaction with HSP90 protein were (-)-pinoresinol, daucosterol, beta sitosterol, alizarin, nordamnacanthal, rubiadin, rubiadin 1-methyl ether, and soranjidiol. Compounds that have good prediction of ADMET are (-)-pinoresinol, beta sitosterol, and daucosterol. Key words : Breast cancer, noni plant, Morinda citrifolia L., molecular docking, PLANTS, ADMETLab 2.0

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Breast cancer, noni plant, Morinda citrifolia L., molecular docking, 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:	10 Oct 2022 07:30
Last Modified:	10 Oct 2022 07:30
URI:	http://repo.setiabudi.ac.id/id/eprint/5328

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