Details

Autor(en) / Beteiligte

• Dahiya, Lalita
• Kumar, Rajiv
• Baidya, Anurag T K
• Kumar, Sunil
• Kumar, Rajnish
• Pawar, Sandip V
• Yadav, Ashok Kumar

Titel

Design, synthesis, biological evaluations and in silico studies of N-substituted 2,4-thiazolidinedione derivatives as potential a-glucosidase inhibitors

Ist Teil von

• Journal of biomolecular structure & dynamics, 2023-12, p.1-18

Ort / Verlag

England

Erscheinungsjahr

2023

Quelle

Taylor & Francis

Beschreibungen/Notizen

• Diabetes mellitus is considered as one of the principal global health urgencies of the twenty first century. In the present investigation, novel -substituted 2,4-thiazolidinedione derivatives were designed, synthesized, and characterized by spectral techniques. All the newly synthesized -substituted 2,4-thiazolidinedione derivatives were tested for α-glucosidase inhibitory activities and compounds were found to be the most potent which were further subjected to disaccharide loading test. The most potent compound was also found to be non-toxic in cytotoxicity studies. Further, docking studies were carried out to investigate the binding mode and key interactions with amino acid residues of α-glucosidase. Molecular dynamic simulations studies for the compounds acarbose, were done with α-glucosidase protein. Further, ΔG was calculated for acarbose, A2, A12, and A14. studies and absorption, distribution, metabolism, excretion (ADME) prediction studies were also executed to establish the 'druggable' pharmacokinetic profiles. Here, we have developed novel -substituted TZD analogues with different alkyl groups as -glucosidase inhibitors.Communicated by Ramaswamy H. Sarma.