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ISSN 2063-5346
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Design, Synthesis and Docking Studies on 6-chloro-N2 , N4 -di(thiazol-2-yl)-1, 3, 5-triazine-2,4-diamine derivatives as PTP1B inhibitors

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Dwivedi Sunil Kumar, Paliwal Sarvesh
» doi: 10.48047/ecb/2023.12.8.425

Abstract

A set of sixteen derivatives of 6-chloro-N2, N4-di(thiazol-2-yl)-1, 3, 5-triazine-2,4-diamine were synthesised and assessed for their ability to inhibit the PTP1B enzyme in a research environment. The molecular docking studies were conducted using the PTP1B enzyme receptor (PDB ID 1XBO). The synthesised compounds, specifically molecules 2a to 2i (9 compounds) and 3a to 3i (9 compounds), demonstrated PTP1B inhibition with activity ranging from 24.11% to 62.88% at a concentration of 10 μM. The docking studies indicated that the presence of hydrogen bond interactions with ASP181, ARG221, GLY220, and ASP48 is crucial for the binding affinity and inhibitory activity of PTP1B

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