A novel series of benzothiazole-rhodanine derivatives (A1-A10) were designed and synthesized, with the aim of developing possible antidiabetic agents and the spectral characterization of these compounds was done using infrared spectroscopy (IR), proton-nuclear magnetic resonance ( 1 H-NMR), carbon-nuclear magnetic resonance (C 13 -NMR), and high resolution mass spectroscopy (HR-MS) techniques. In vitro hypoglycemic potential of the compounds was evaluated by performing α-amylase and α-glucosidase enzyme inhibitory assays. In addition, these compounds were subjected to in silico analysis. Based on the results, compounds A5, A6, and A9 displayed good activity in comparison with the standard acarbose. Based on Lineweaver-Burk plots, it was concluded that compounds A5 and A9 displayed competitive type of enzyme inhibition. Molecular dynamic simulations were conducted to evaluate the stability of the ligand-protein complex by the calculation of the root mean square deviation, root means square fluctuation, and solvent accessible surface area.diabetes mellitus, in silico analysis, molecular dynamics, pharmacophore, rhodanines | INTRODUCTIONDiabetes mellitus (DM) is a chronic metabolic disorder that causes a significant challenge for the healthcare system across the globe. Such a high prevalence of diabetes has boosted the search for novel alternatives. Owing to high blood glucose in diabetes, a series of complications such as blindness, high blood pressure, kidney, and stroke disorders may result. 1 Diabetes was anticipated to affect 415 million people in 2015, with type 2 diabetes (T2DM) accounting for more than 90% of cases, with the number expected to rise to 642 million by 2040. For controlling glycemia, there has been a development of a few synthetic drugs such as acarbose, metformin, and sitagliptin. However, many side effects have been resulted due to the consumption of these drugs, such as flatulence, diarrhea, and hypoglycemia. It is well-known that postprandial hyperglycemia is an important contributing factor to the progression of T2DM, therefore, postprandial management of hyperglycemia is one of the therapeutic approaches to combating T2DM diabetes. α-amylase and α-glucosidase are the two main carbohydrate digestive enzymes associated with postprandial hyperglycemia in T2DM patients. The alpha-1, 4-glycosidic bond
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