Jurnal Farmasi Sains dan Praktis
Vol 10 No 2 (May-August 2024)

MOLECULAR DOCKING STUDIES OF FLAVONOIDS FROM SECANG WOOD (Caesalpinia sappan L.) AGAINST GLUCOKINASE ENZYME AS ANTIDIABETIC CANDIDATES

Aurellia, Rizky Natasya (Unknown)
Fitriana, Adita Silvia (Unknown)
Febrina, Dina (Unknown)



Article Info

Publish Date
16 Aug 2024

Abstract

Diabetes mellitus (DM) is a metabolic disease caused by a deficiency of insulin secretion, insulin resistance, and increased hepatic glucose production. Secang wood (Caesalpinia sappan L.) is known to have antihyperglycemic activity. However, these compounds are not yet known. In silico studies are needed to determine the compounds that act as antidiabetics. This study performed molecular docking of flavonoid compounds in sappan wood against the 1V4S glucokinase receptor. The results showed that all flavonoid compounds of sappan wood were predicted to have antidiabetic activity because they had a lower docking score than metformin, the first-line therapy of type 2 diabetes mellitus. Butein is expected to have the best activity. It has the lowest docking score (-94.4836). Visualization of the docking results shows that butein interacts with the identical amino acid residues as metformin, namely ARG 63 and THR 65, through the formation of hydrogen bonds and Van der Waals interactions. SWISS-ADME web tool predicted that butein has good oral absorption and excretion. The toxicity prediction tool showed a slight contradiction in the mutagenic effect. Based on this research, molecular docking may be able to design new drugs, especially from butein in sappan wood (Caesalpinia sappan L.), as antidiabetic candidates.

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Journal Info

Abbrev

pharmacy

Publisher

Subject

Immunology & microbiology Medicine & Pharmacology Public Health

Description

Jurnal Farmasi Sains dan Praktis aims to serve the updated scientific knowledge for international researchers in pharmaceutical sciences. Jurnal Farmasi Sains dan Praktis (JFSP) publishes review article, original article, as well as short communication in the all scopes of Pharmaceutical Science ...