Summary
This in silico work aims to analyse the chemical properties of isatin-linked chalcones and identify their potential protein targets. Initially, we optimise the compounds for enhanced interaction with NADH-Dependent 2-trans Enoyl–Acyl Carrier Protein Reductase (InhA), also known as protein 4QXM. We evaluate the efficacy of the synthesised chalcones in treating tuberculosis by comparing them to the standard isoniazid (INH). The best chalcone structures have an amazing dock score of -10.5, which means they have a strong affinity for binding to the target protein. In contrast, the docking score of the typical medication is -10.3. Compounds 6, 7, 8, and 9 demonstrate the greatest docking scores among the synthesized compounds, surpassing the traditional drug's score of -10.3. The docking scores
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