STUDI BIOINFORMATIKA KANDUNGAN KIMIA TANAMAN KEJI BELING (Strobilanthes crispus L.) DAN SAMBILOTO (Andrographis paniculata Nees) SEBAGAI ANTIDIABETES

Julaiha, Julaiha (2019) STUDI BIOINFORMATIKA KANDUNGAN KIMIA TANAMAN KEJI BELING (Strobilanthes crispus L.) DAN SAMBILOTO (Andrographis paniculata Nees) SEBAGAI ANTIDIABETES. Skripsi thesis, Universitas Setia Budi.

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Abstract

Strobilanthes crispus and Andrographis paniculata are known to have a wide range of biological activity, one of them is antidiabetic. This study aimed to study the molecular interaction of Strobilanthes crispus and Andrographis paniculata phytochemical constituents to the various macromolecular targets of antidiabetic agent through molecular docking. Nineteen Andrographis paniculata and twenty Strobilanthes crispus chemical constituents were docked to four macromolecular targets of antidiabetic agent Dipeptidyl-Peptidase 4 enzyme (DPP4), Protein tyrosine phospahatase-1B (PTP1B), Glucokinase, Alpha glucosides using molecular docking. AutoDock Vina in PyRx was used and the results were presented as binding affinity values (kcal/mol). In this study Program PyMOL and Discovery Studio Visualizer are used to the visualizer molecular of ligand-macromolecule interactions. Other than that, ADME predictions are very important because they play a critical role in assessing the quality of potential clinical candidates a new drug. Swiss ADME used for analysis to select a potent drug compound. The result from Andrographis paniculata compounds that have the best binding affinity were glucokinase (-10.4 kcal/mol), DPP4 (9.3 kcal/mol) and α-glucosidase (-8.8 kcal/mol) of 19-tripenhyl andrographolide and PTP1B (-9.5 kcal/mol) of andrographolactone. Whereas in the Strobilanthes crispus compounds that have the best binding affinity were glucokinase (-9.9 kcal/mol) of stigmasterol, DPP4 (-9.7 kcal/mol) of rutin, α-glucosidase (-8.8 kcal/mol) of lupeol and PTP1B -8.8 kcal/mol) of luteolin. ADME predictions indicate that andrographolactone has an excellent pharmacokinetic profile. Keywords: Bioinformatics, Swiss ADME, Andrographis paniculata, Strobilanthes crispus, antidiabetic

Item Type: Thesis (Skripsi)
Uncontrolled Keywords: Bioinformatics, Swiss ADME, Andrographis paniculata, Strobilanthes crispus, antidiabetic
Subjects: T Technology > TP Chemical technology
Divisions: Fakultas Farmasi > Prodi S1 Farmasi
Depositing User: Tifany Nur Arfiana
Date Deposited: 20 Jan 2020 04:32
Last Modified: 20 Jan 2020 04:32
URI: http://repository.setiabudi.ac.id/id/eprint/4049

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