In Silico Study of Acetogenin Compounds from Soursop (Annona muricata) Leaves as Sodium-Glucose Cotransporter-2 (SGLT2) Inhibitors
Abstract
Acetogenin derived from soursop (Annona muricata) leaves are known to have antidiabetic and anticancer activities. Nevertheless, there has been no study related to the compounds found in A. muricata leaves, such as acetogenin, as SGLT2 inhibitors. This research aims to investigate the activity of acetogenin compounds as SGLT2 inhibitors while maintaining low selectivity against SGLT1 using molecular docking methods using Molegro Virtual Docker (MVD). Based on the Rerank score, five acetogenin compounds, namely muricin H, annonacin A, annopentocin B, murihexocin C, and corossolone, are predicted to be SGLT2 inhibitors with better selectivity compared to empagliflozin. Among these five compounds, muricin H and corossolone exhibit the most similarity in interaction with amino acid residues in the SGLT2 A-chain compared to empagliflozin. In silico ADMET analysis results indicate that both compounds have absorption, distribution, and metabolism capabilities, similar to empagliflozin. However, it should be noted that both compounds are more toxic, with muricin H predicted to have hepatotoxic properties.
Read the paper
Related studies
- Strategy for Mitigating DKA Risk in Patients with Type 1 Diabetes on Adjunctive Treatment with SGLT Inhibitors: A STICH Protocol
- Glucoraphanin: a broccoli sprout extract that ameliorates obesity-induced inflammation and insulin resistance
- SGLT2 Inhibitors in Heart Failure: Targeted Metabolomics and Energetic Metabolism
- Mechanisms of blood pressure reduction with sodium-glucose co-transporter 2 (SGLT2) inhibitors
- Sodium-glucose cotransporter inhibitors: beyond glycaemic control
- Decoding the effects of SGLT2 inhibitors on cardiac arrhythmias in heart failure
Go deeper in Evidence Hub
Evidence Hub adds a study data sheet (design, sample size, evidence level, key numbers), an AI summary and a chat grounded in the paper's text.