Abstract

Thiazolidinedione (1) was used as a key intermediate for the synthesis of many therapeutic anti-diabetic molecule. Thus, Thiazolidinedione (1) was refluxed with aromatic aldehydes and phenol derivatives to afforded aryldine derivative (3). Moreover, the stereochemistry for compound 3 was discussed using Hartree-Fock theory geometries, and have been optimized at HF with 6-311G level of theory. The HOMO-LUMO energy gap of studied systems has been discussed. The molecular docking simulations into the active site of ALR2 were performed, and showed that, the compound 3 more suitable inhibitor against ALR2 and can used as anti- diabetic drug.

Highlights

  • Diabetes mellitus (DM) is a common chronic, more than 220 million people worldwide suffer from DM, this figure is expected to increase by 2030 to 400 million cases [1,2]

  • Hyperglycemia is a typical condition of DM and plays a crucial role in the development and advancement of these complications, which arise from acute, and are largely responsible for the morbidity and mortality observed in these patients[1, 4,5,6]

  • Increasing flux of glucose through the polyol pathway, that occurs under hyperglycemic conditions in tissues possessing insulin-independent glucose transport is a well examined factor involved in the appearance and progression of such chronic complications[ 3,6-13]

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Summary

Introduction

Diabetes mellitus (DM) is a common chronic, more than 220 million people worldwide suffer from DM, this figure is expected to increase by 2030 to 400 million cases [1,2]. Increasing flux of glucose through the polyol pathway, that occurs under hyperglycemic conditions in tissues possessing insulin-independent glucose transport is a well examined factor involved in the appearance and progression of such chronic complications[ 3,6-13]. Via ALR2 and the polyol pathway, is often linked to the development of chronic complications of diabetes mellitus. ALR2 has been considered an attractive target enzyme, to develop drugs to control or prevent the progression of chronic diabetic complications, but remain many problems with toxicity and lack of targeted specificity towards the enzyme[11,13,14,15,16]. Thiazolidinediones (TZDs), playing effective role in normalizing glucose metabolism associated with insulin resistance, so, TZDs are considering antidiabetic agents [21]. In view of the above mentioned, we discovery potent the synthetic thiazldinone derivatives against diabetic II, though, docking studies against ALR-2 to gain a new insight concerning possible binding modes of our compounds, which should be useful to guide improved potency compounds against diabetic disease

Chemistry
Global and local reactivity descriptors
ADMET factorsprofiling
Docking studies
Conclusion
Experimental
Synthesis:
Molecular Modelling Study
Preparation of Small Molecule
MOE Stepwise

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