Al-Kimia
Vol 7 No 2 (2019): DECEMBER

Studi In Silico: Prediksi Potensi 6-shogaol dalam Zingiber officinale sebagai Inhibitor JNK

Sri Sulystyaningsih Natalia Daeng Tiring (NUSA NIPA UNIVERSITY)
Yohanes Bare (NUSA NIPA UNIVERSITY)
Andri Maulidi (PALANGKA RAYA UNIVERSITY)
Mansur S (Nusa Nipa University)
Fitra Arya Dwi Nugraha (Negeri Padang University)



Article Info

Publish Date
23 Dec 2019

Abstract

Type 2 Diabetes Mellitus (T2DM) is a metabolic disease characterized by hyperglycemia and insulin resistance. T2DM therapy against c-Jun N-terminal kinase (JNK) is one of the recovery solutions using bioactive compounds from ginger. 6-shogaol is bioactive compounds of ginger that has antioxidant properties. The purpose of this study is to analyze the potential of 6-shogaol as a JNK inhibitor. JNK protein (ID: 464Y) was obtained from Protein Data Bank (PDB) through 6-shogaol ligand (CID: 5281794) obtained from the PubChem database. Protein docking protein and ligand use Hex 8.0.0 software while visualization and analysis using Discovery Studio client 4.0. The results showed that 6-shogaol was predicted to have potential as a JNK inhibitor. Proving this by finding five amino acid residues (TRY223, LEU210, THR103 ALA214, ARG107) with an energy of -236.29cal/mol. We found the type of hydrogen bonds and the van der waals forces formed. The interaction of ligand and protein successfully inactivates JNK and stops pancreatic β cell dysfunction. 6-shogaol has pharmacological properties as a JNK,T2DM. 

Copyrights © 2019






Journal Info

Abbrev

al-kimia

Publisher

Subject

Chemistry

Description

Al-Kimia is a journal of chemistry that published by Department of Chemistry, Faculty of Science and Technology UIN Alauddin Makassar. The journal is published twice a year on January-June and July-December. This journal encompasses original research articles in all aspects of chemistry and related ...