Synthesis, spectroscopic, computational, molecular docking, antidiabetic(in vitro & in vivo) DNA and BSA interaction...

The ruthenium compounds have been known to have the wide range of potential applications as anticancer, antibacterial and anti-diabetic etc. The ligand substitutions play a vital role in enhancing the pharmacological and biological activities. In the present study, three ruthenium-metal based complexes, designated as (I-III), were synthesized and characterized employing element analysis, FTIR and ¹HNMR. Density functional theory (DFT) was employed to work out FMO (frontier molecular orbital), NBO (natural bond orbital), UV-visible and FTIR analysis. The obtained results are comparable to the experimental findings. The complexes (I-III) were tested for pharmacological activities such as anti-diabetic (in vitro and in vivo). In vitro, anti-diabetic analysis of α-amylase inhibition enzyme dinitrosalicylic acid (DNSA) reagent confirmed inhibitory influence of the synthesized complexes (I-III). In vivo, investigation was conducted on rabbits as model. The bio-clinical tests such as glycated haemoglobin concentration (HbA1c), blood urea nitrogen (BUN), creatinine (Cr), blood glucose level (BGL), high density lipoprotein (HDL), low density lipoprotein (LDL), total cholesterol (TC) were performed using the blood, plasma specimens isolated from diabetic, non-diabetic, control and treatment groups (n = 18). The results showed that complexes were significantly controlled the enrichment in tested parameters. The complexes (I-III) were also tested for antitumor potential using salmon sperm DNA (SSDNA), and bovine serum albumin (BSA). The results showed effective interaction for complexes (I-III) with obtained good binding constant values. The molecular docking studies were also done to compare and support the experimental results.