ISSN : 0975-9492


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Title : In Silico Design, Synthesis and In Vitro Antidiabetic Activity of Novel 5-Furyl- 1,3,4-Thiadiazolimines
Authors : Sherin A. Hameed, Joyamma Varkey, P Jayasekhar
Keywords : 1,3,4-thiadiazole, docking, α- amylase, anti-diabetic
Issue Date : Jun 2020
Abstract :
Postprandial hyperglycemia plays an important role in the development of T2DM. The promising therapeutic approach is to decrease hyperglycemia by decreasing the postprandial rise in blood glucose concentration. In our study, a series of novel 5-furyl- 1,3,4-thiadiazol-2-imine derivatives were designed and those with good Physico-chemical properties were synthesized by oxidative cyclization between aryl acid and thiosemicarbazide using phosphorous oxychloride and subsequent treatment with aromatic aldehydes with varying substituents. Docking studies with the human pancreatic alpha-amylase enzyme in complex with myricetin (PDB ID: 4GQR) and peroxisome proliferator-activated receptor gamma (PPARgamma) (PDB ID: 1FM6) were done to predict the protein-ligand binding modes. The compounds SA07, SA03 and SA04 showed significantly high docking scores while SA01, SA05 and SA06 showed moderate scores. All derivatives were subjected to in vitro anti-diabetic screening using chromogenic dinitro salicylic acid method (α amylase inhibition assay). Significant percentages of inhibition were reported for SA03, SA07 and SA04 with acarbose as standard. Molecular docking revealed that synthesized derivatives and target proteins were actively involved in binding before and after systemic absorption and had a significant correlation with their biological activity.
Page(s) : 152-159
ISSN : 0975-9492
Source : Vol. 11, No.06
PDF : Download
DOI : 10.21817/ijpsr/2020/v11i5/201106011