Computational analysis of potential drug-like compounds from Solanum torvum - A promising phytotherapeutics approach for the treatment of diabetes.

Diabetes mellitus (DM) is a global pandemic that is characterized by high blood glucose levels. Conventional treatments have limitations, leading to the search for natural alternatives. This study focused on Solanum torvum (STV), a medicinal plant, to identify potential anti-diabetic compounds using molecular docking and molecular dynamics simulations. We focused on identifying natural inhibitors of two key enzymes involved in glucose metabolism: α-amylase (1HNY) and α-glucosidase (4J5T). In our preliminary docking study, rutin showed the highest binding affinity (-11.58 kcal/mol) to α-amylase, followed by chlorogenin (-7.58 kcal/mol) and myricetin (-5.82 kcal/mol). For α-glucosidase, rutin had the highest binding affinity (-11.78 kcal/mol), followed by chlorogenin (-7.11 kcal/mol) and fisetin (-6.44 kcal/mol). Hence, chlorogenin and rutin were selected for further analysis and compared with acarbose, an FDA-approved antidiabetic drug. Comparative docking revealed that chlorogenin had the highest binding affinity of (-9.9 kcal/mol) > rutin (-8.7 kcal/mol) and > acarbose (-7.7 kcal/mol) for α-amylase. While docking with α-glucosidase, chlorogenin again had the highest binding affinity of (-9.8 kcal/mol) > compared to rutin (-9.5 kcal/mol) and acarbose (-7.9 kcal/mol). Molecular dynamics (MD) simulations were conducted to assess their stability. We simulated 100 nanoseconds (ns) trajectories to analyze their stability on various parameters, including RMSD, RMSF, RG, SASA, H-bond analysis, PCA, FEL, and MM-PBSA on the six docked proteins. In conclusion, our study suggests that chlorogenin and rutin derived from STV may be effective natural therapeutic agents for diabetes management because of their strong binding affinities for the α-amylase and α-glucosidase enzymes.Communicated by Ramaswamy H. Sarma.

Regulation of glucose transporter-4 intervention with S. saman leaves extract in streptozotocin-induced diabetic rats.

Diabetes mellitus is the leading disorder and affects more than millions of people worldwide. Nowadays, the usage of herbal drugs is said to control adiposity and hyperglycemia. The current research investigated the anti-adiposity and antidiabetic activity of S. saman leaf extract and bioactive compounds. Therefore, the results lower the sugar absorption into the blood and reveal the extract's antidiabetic properties. STZ-induced diabetic rats, Samanea saman methanolic extract show improvement in the parameters like fasting blood glucose levels, body weight, other biochemical parameters supported by the histopathological analysis, and an increase in serum levels in the experimental groups. The antioxidant plays a vital role by increasing SOD and catalase activity levels and decreasing lipid peroxidation levels. The methanolic extract protects the tissue from oxidation stress, which is responsible for the glycemic properties. According to the findings, diabetic-treated rats had overnight blood glucose levels lower and near standard biochemical markers. Histopathology of the liver, pancreas, kidneys, and adipose tissues supported the pharmacological observations. Further, we screened and documented S. saman extract used for in vitro and in vivo methods. In terms of effectiveness, the crude extracts exhibit 0.8-fold GLUT4 down-regulation. Consequently, this result contributes to clinical trials and develops antidiabetic therapy as a substitute for synthetic pharmaceuticals.

Evaluation of the anti-diabetic effect of biogenic silver nanoparticles and intervention in PPARγ gene regulation.

The current study demonstrated a green, friendly, low-cost biosynthesis of silver nanoparticles (AgNPs) from Kigelia africana leaves (Lam.) Benth. extract (KAE) as both a major capping and reducing agent. The produced AgNPs were characterized using a variety of analytical methods, like the X-ray powder diffraction (XRD), HRTEM, Fourier transforms infrared (FTIR), and UV-Vis spectrophotometer. The formation of AgNPs with maximum absorbance at max = 435 nm was endorsed by surface plasmon resonance. FTIR analysis revealed that biological macromolecules of KAE were involved in the stabilization and synthesis of AgNPs. At the same time, HRTEM images revealed that the average particle size of the spherical AgNPs ranged from about 25 nm to 35 nm. Further, cytotoxicity assessment of AgNPs was done using the RINm5F insulinoma cell line with an MTT assay. Followed by, the RINm5F insulinoma cells treated with AgNPs and KAE, the expression of the Peroxisome proliferator-activated receptor gamma (PPARγ) gene was accessed. The results showed gene expression was upregulated in the RINm5F insulinoma cell line thus confirming AgNPs and KAE anti-diabetic efficacy. Furthermore, the findings show that nanotechnology has enhanced the effectiveness of current methodologies in gene expression and regulation which has contributed to the emergence of different forms of advanced regulatory systems.