In-Silico ADMET Prediction, Structure-Based Drug Design and Molecular Docking Studies of Quinazoline Derivatives as Novel EGFR Inhibitors

This Present research provides valuable insights and implications for the development of quinazoline derivatives as novel EGFR inhibitors. The in-silico ADMET predictions indicate that the quinazoline derivatives possess promising drug-like properties, suggesting their potential for further development as oral drugs. The low risk of toxicity and favorable metabolic and excretion profiles enhance their suitability for therapeutic applications Molecular docking studies revealed strong binding interactions between the quinazoline derivatives and the EGFR kinase domain. These interactions suggest that these compound shave the potential to effectively inhibit EGFR activity, making them promising candidates for anti- cancer drug development to progress from in-silico findings to clinical applications, further research is essential. Future work should encompass in vitro and in vivo experiments to validate the inhibitory potential of these compounds against EGFR. Additionally, pharmacokinetic studies are warranted to confirm their ADMET properties. Structural optimization through medicinal chemistry approaches may further enhance their binding affinities and specificity for EGFR. It represents a pivotal step in the exploration of quinazoline derivatives as novel EGFR inhibitors. The combined efforts in ADMET prediction, structure-based drug design, and molecular docking have provided a strong foundation for the development of innovative anti-cancer therapies. The potential of these compounds to target EGFR, a crucial player in various cancers, holds great promise for improving the treatment options available to patients and advancing the field of oncology.