Abstract
Type 2 diabetes mellitus continues to pose a significant global health concern,
warranting increased attention. This metabolic disorder is influenced by various
factors, such as lifestyle, diet, environment, and genetics. While several approaches
have been developed to address the incidence of type 2 diabetes mellitus, current
treatments remain inadequate and necessitate further improvement. In this study, our
objective was to assess the potential antidiabetic efficacy of anthraquinone
glycosides present in rhubarb (specifically physcion diglucoside and aloe-emodin-8-
glucoside) as potential inhibitors of the sodium-glucose cotransporter-2. We
employed an in silico study to evaluate their inhibitory properties. The
computational prediction was performed included the target protein, ligands
retrieval, and preparation. Furthermore, the molecular docking process was
conducted to assess the interaction between the target protein and ligands.
Subsequently, data visualization and analysis were performed. Various indicators
were evaluated, including the characteristics of the target molecule and drug
candidates, binding affinity scores, interaction positions, types of chemical
interactions, amino acid residues involved, hydrophobicity, formation of hydrogen
bonds, interpolated charge, and ionizability. These comprehensive evaluations
provided valuable insights into the molecular interactions and potential efficacy of
the tested compounds. In this computational study, we demonstrated that the both
rhubarb anthraquinones, physcion diglucoside and aloe-emodin-8-glucoside, have a
great potential as antidiabetic agent by inhibiting the action of the sodium-glucose
cotransporter-2. Thus, the inactive the sodium-glucose cotransporter-2 can prevent
the excessive number of glucose plasma level in type two diabetes mellitus people.
warranting increased attention. This metabolic disorder is influenced by various
factors, such as lifestyle, diet, environment, and genetics. While several approaches
have been developed to address the incidence of type 2 diabetes mellitus, current
treatments remain inadequate and necessitate further improvement. In this study, our
objective was to assess the potential antidiabetic efficacy of anthraquinone
glycosides present in rhubarb (specifically physcion diglucoside and aloe-emodin-8-
glucoside) as potential inhibitors of the sodium-glucose cotransporter-2. We
employed an in silico study to evaluate their inhibitory properties. The
computational prediction was performed included the target protein, ligands
retrieval, and preparation. Furthermore, the molecular docking process was
conducted to assess the interaction between the target protein and ligands.
Subsequently, data visualization and analysis were performed. Various indicators
were evaluated, including the characteristics of the target molecule and drug
candidates, binding affinity scores, interaction positions, types of chemical
interactions, amino acid residues involved, hydrophobicity, formation of hydrogen
bonds, interpolated charge, and ionizability. These comprehensive evaluations
provided valuable insights into the molecular interactions and potential efficacy of
the tested compounds. In this computational study, we demonstrated that the both
rhubarb anthraquinones, physcion diglucoside and aloe-emodin-8-glucoside, have a
great potential as antidiabetic agent by inhibiting the action of the sodium-glucose
cotransporter-2. Thus, the inactive the sodium-glucose cotransporter-2 can prevent
the excessive number of glucose plasma level in type two diabetes mellitus people.
Keywords
anti-diabetic
In Silico
inhibitor
rhubarb
Sodium-Glucose Cotransporter-2