Fikriyah, Ratna (2020) ANALISIS DOCKING MOLEKULER KANDUNGAN KIMIA LEMBAYUNG MALABAR (Basella alba L.) DAN BAYAM HIJAU (Amaranthus viridis L.) TERHADAP TARGET MOLEKULER TERAPI DISLIPIDEMIA. Skripsi thesis, Universitas Setia Budi.
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INTISARI (14).pdf Download (84kB) |
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BAB I (29).pdf Download (511kB) |
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Abstract
Basella alba and Amaranthus viridis are known to have a wide range of biological activity, one of them is dyslipidemia. This study aimed to study the molecular interaction of Basella alba and Amaranthus viridis phytochemical constituents to the various macromolecular targets of dyslipidemia agent HMG-CoA reduktase (HMGCR), Pancreatic lipase (PL), Peroxisome Proliferator-Activated Receptor Alpha (PPARα), dan Cholesteryl Ester Transfer Protein (CETP) used molecular docking. The preparation of ligands was used MarvinSketch, VegaZZ, and AutodockTools 1.5.6. Validation of ligands and target proteins were used Autodock 4. Program PyMOL and Discovery Studio Visualizer were used to the visualizer molecular of ligand-macromolecule interactions. The compounds that successfully binding to the target protein were subjected to pharmacokinetic profile assay was assessed the quality of clinical candidated as new drug have been used ADMETLab. The results form Basella alba compounds that have been the best binding affinity were acacetin for HMGCR (-4,54 kcal/mol), PL (-7,10 kcal mol), and PPARα (-6,13 kcal/mol). ß sitosterol for CETP (-10,36 kcal/mol). Amaranthus viridis compounds that have been the best binding affinity were rutin for CETP (-6,54 kcal/mol), and 9,12,15-octadecatrienoic acid for PPARα (-6.15 kcal/ mol) and pancreatic lipase (-5,26 kcal/mol).). ADME prediction indicated that acacetin has an excellent pharmacokinetic profile. Key words: Docking molecular, ADMETLab, Basella alba, Amaranthus viridis, dyslipidemia.
| Item Type: | Thesis (Skripsi) |
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| Uncontrolled Keywords: | Docking molecular, ADMETLab, Basella alba, Amaranthus viridis, dyslipidemia. |
| Subjects: | R Medicine > RS Pharmacy and materia medica |
| Divisions: | Fakultas Farmasi > Prodi S1 Farmasi |
| Depositing User: | Tifany Nur Arfiana |
| Date Deposited: | 13 Jun 2022 06:57 |
| Last Modified: | 13 Jun 2022 06:57 |
| URI: | http://repo.setiabudi.ac.id/id/eprint/4865 |
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