Jurnal Natural Scientiae
Vol 2, No 1 (2022): Mei 2022

Kajian Molecular Docking Senyawa Karwinaphthol B dari Tanaman Bawang Dayak (Eleutherine palmifolia (L.) Merr) sebagai Inhibitor Enzim Glukokinase

Puji Astuty (Program Studi Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Lambung Mangkurat, Indonesia)
Noer Komari (Program Studi Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Lambung Mangkurat, Indonesia)



Article Info

Publish Date
15 May 2022

Abstract

Karwinaphthol B is a compound of the naphthoquinone group. Karwinaphthol B is a chemical compound found in Bawang Dayak. Karwinaphthol B is one of the compounds considered to have antidiabetic effects. Diabetes Mellitus is a chronic disease that occurs when the body cannot produce enough insulin or cannot use insulin (insulin resistance) which causes blood glucose levels to rise (hyperglycaemia) under normal conditions. This study aims to see the potential of karwinaphthol B as a glucokinase inhibitor with parameters such as ∆G value and interaction of amino acid residues with molecular docking and pharmacophore studies using filter Lipinski, pkCSM, and SwissADME. The results of molecular docking showed that karwinaphthol B compound had potential as antidiabetic based on the ∆G value of -8.39 kcal/mole. Karwinaphthol B compound has an LD50 value of 2.168 mole/kg which is included in the non-toxic category; does not have hepatotoxicity, skin sensitization, and has a good bioavailability value. The interaction of Karwinaphthol B compounds with glucokinase enzymes at amino acid residues VAL62, ARG63, SER64,THR65, PRO66,  GLU67, GLY68, SER69, GLN98, MET210 , ILE211, TYR214, TYR215, CYS220, GLU221, MET235,  CYS252, LEU451, VAL452, and VAL455.

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Journal Info

Abbrev

jns

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Earth & Planetary Sciences Energy Immunology & microbiology Materials Science & Nanotechnology Physics

Description

Jurnal Natural Scientiae (JNS), ISSN:2809-9796 (online) adalah sebuah jurnal blind peer review yang didedikasikan untuk publikasi hasil penelitian yang berkualitas dalam bidang IPA namun tak terbatas secara implisit. Semua publikasi di jurnal Natural Scientiae bersifat akses terbuka yang ...