2-Mercapto Benzothiazole Derivatives: As Potential Leads for the Diabetic Management.
BACKGROUND
Results of our previous studies on antiglycation activity, and the noncytotoxicity of 2-mercapto benzothiazoles, encouraged us to further widen our investigation towards the identification of leads against diabetes mellitus.


METHODS
33 derivatives of 2-mercapto benzothiazoles 1-33 were evaluated for in vitro α- glucosidase inhibitory activity. Mode of inhibition was deduced by kinetic studies. To predict the interactions of 2-mercapto benzothiazole derivatives 1-33 with the binding pocket of α-glucosidase enzyme, molecular docking studies were performed on the selected inhibitors.


RESULTS
Compounds 2-4, 6-7, 9-26, 28 and 30 showed many folds potent α-glucosidase inhibitory activity in the range of IC50 = 31.21-208.63 μM, as compared to the standard drug acarbose (IC50 = 875.75 ± 2.08 μM). It was important to note that except derivative 28, all other derivatives were also found previously to have antiglycating potential in the range of IC50 = 187.12-707.21 μM.


CONCLUSION
A number of compounds were identified as dual nature as antiglycating agent and α- glucosidase inhibitors. These compounds may serve as potential lead candidates for the management of diabetes mellitus.
['Ullah|Saeed|S|', 'Mirza|Salma|S|', 'Salar|Uzma|U|', 'Hussain|Shafqat|S|', 'Javaid|Kulsoom|K|', 'Khan|Khalid M|KM|', 'Khalil|Ruqaiya|R|', 'Atia-Tul-Wahab|||', 'Ul-Haq|Zaheer|Z|', 'Perveen|Shahnaz|S|', 'Choudhary|Muhammad I|MI|']
D052160:Benzothiazoles D065089:Glycoside Hydrolase Inhibitors D007004:Hypoglycemic Agents D007700:Kinetics D008958:Models, Molecular D062105:Molecular Docking Simulation D011485:Protein Binding D011487:Protein Conformation D012441:Saccharomyces cerevisiae D013329:Structure-Activity Relationship D000520:alpha-Glucosidases
2-Mercapto benzothiazole hyperglycemia in silico studies. Type-II
diabetes mellitus in vitro α-glucosidase inhibitory activity insulin