Category: In Development

Abstract

Modulating the nucleotide cycle signaling of phosphodiesterases (PDEs) can facilitate thermogenesis. When it comes to obesity therapy, utilizing herbs as part of non-pharmacological treatment methods is highly recommended due to the lower risks involved compared to pharmacological methods. Bajakah root, a typical plant found in West Kalimantan, also known by its Latin name, Spatholobus littoralis Hassk (S. littoralis Hassk), is currently being extensively researched. Isorhynchophylline and rhynchophylline are common alkaloids found in S. littoralis Hassk. The objective of this study was to explore the potential of these two alkaloids through an in silico approach. Chem3D Pro software was used to prepare ligands with energy conformations for accurate docking results via AutoDock Vina software. The visualization was carried out in Biovia Discovery Studio. The lowest binding energy values were obtained for the PDE4C isoform, with values of -9.14, -7.61, and -5.61 kcal/mol, respectively. The interaction between isorhynchophylline and PDE4C had the lowest binding energy. In silico studies suggest that two alkaloid components, isorhynchophylline and rhynchophylline, found in S. littoralis Hassk have the potential to increase lipolysis activity.

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Backgrounds: Mitragynine is the most popular of the more than 50 alkaloids contained in M.Speciosa. In particular, the Mitragynine alkaloid has the potential to increase lipid (fats) metabolism through specific pathways such as adenylyl cyclase signaling via adrenergic receptors. In this case, Asp Amino acid and Ser are the types of residues that can activate adenylyl cyclase to initiate a series of activities in cells. Methods: This study used Mitragynine ligand and adrenergic receptors (α1b, α2a, α2b, α2c dan β1). The receptor candidates were tested using Autodock whose test results were presented in the form of tables and 3-dimensional images using the Biovia Discovery Studio. Results: Hydrogen bonds were formed between Mitragynine and the amino acids Asp and Ser at the β1-adrenergic receptor. The binding amino acids were found in Ser20 and Asp21 with energy bond of -5.26 kcal/mol and IC50: 111.35 ppm. Meanwhile, at the adrenergic receptor α2b there was only Asp residue that formed hydrogen bond with Mitragynine namely Asp218A. The energy bond formed between the two was -5.19 kcal/mol and IC50: 125.04 ppm. Conclusion: Mitragynine has the potential to stimulate lipolysis through the pathways of α2b and β1-adrenergic receptors.

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