Abstract

Diabetes mellitus (DM) is a metabolic disorder characterized by elevated blood glucose levels due to insufficient insulin production or resistance to insulin action. Although various types of diabetes were found, majority of the people affected by type 1 and type 2 DM. The primary treatment for diabetes involves intensive insulin therapy to control blood sugar levels, although this approach can lead to potentially dangerous episodes of hypoglycemia. Additionally, some diabetes medications can cause side effects such as weight gain, gastrointestinal issues, and an increased risk of cardiovascular events. To over these risk factors alternative treatment or drugs need to be discovered. In this study, the phytochemicals present in Psoralea corylifolia was virtually screened against the targets of DM. All the seven bioactives (Bavachromanol, Corylinal, Coumestrol, Daidzein, Genistein, Isoneobavachalcone and Psoralenol) obeyed Lipinski rule of five. Among the selected ligand molecule, the ADME properties of all the seven molecules were good. Further toxicity analysis revealed that there was no indication of hepatotoxicity, carcinogenicity and cytotoxicity in Bavachromanol, Corylinal, Daidzein, Genistein, Isoneobavachalcone and Psoralenol. The selected ligand molecules were subjected to Molecular Docking using Autodockvina. Compared to other drug candidates, Bavachromanol showed better interaction against Diabetic targets proteins sodium-dependent glucose co-transporter 1 (PDB ID: SGLT1) with binding energy of -10.1Kcal/mol. Root-mean-square deviation (RMSD) was computed to track complex (Bavachromanol-SGLT1) dynamic stability across the simulation period of 100 ns. The RMSD of the complex confirms the stability of the complex. Overall, the study suggests that Bavachromanol from Psoralea corylifolia could be a promising alternative treatment for diabetes.

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