Theoretical Calculations and Molecular Design of Novel Dioxoisoindoline Derivatives as Anticancer Agents.

The decline in anticancer drugs is a constant problem in both basic and advanced medicine .It suggests using a theoretical chemical study to identify potential drugs using Dioxoisoindoline derivatives. The study utilized molecular docking and ΔG, comes to this conclusion. The chemical and protein more closely match when the negative G value is higher calculations to evaluate the derivatives' activity against cancer-related proteins. Several compounds, including S4, S1, and S1, demonstrated significant activity against different proteins. The ΔG values obtained for all derivatives fell within an acceptable range, indicating their potential as therapeutic agents. These findings suggest that the studied Dioxoisoindoline derivatives possess promising properties for targeting various cancer-related proteins. The text emphasizes the importance of developing alternative anticancer drugs and introduces a chemical study approach using these derivatives. The compounds tested showed promising activity against specific proteins, making them potential candidates for further research and development as potential anticancer medications.