మెడిసినల్ కెమిస్ట్రీ

Quinazolines are medicinally important as anti-convulsant, anti-cancer, anti-microbial, and anti-tubercular properties etc. They target epidermal growth factor receptors on tumor cells. This work is aimed to synthesize a new series of quinazoline derivatives which could deliver drug specifically to the EGFR over expressing tumors. A series of novel Schiff’s base analogues were developed by in silico screening methods. The drug likeness of the analogues was analyzed by using Molinspiration software. Biological activities of these analogues were evaluated by using PASS software. The candidates which obeyed Lipinski rule of five and having suitable anti-cancer and anti-microbial activity were taken for docking studies using Schrodinger software. All the proposed derivatives were docked with various protein targets obtained from PDB, using GLIDE software and satisfactory docking energy scores were obtained. Selected 10 derivatives of quinazoline have been synthesized by anthranilamide and benzaldehyde as starting materials. These analogues were purified by analyzing its melting point, Rf value. These were further characterized by FT-IR, 1H NMR and MASS spectral studies. The anti-cancer activity of these derivatives was done by MTT assay against HeLa cell lines, LD50 values were calculated by Brine Shrimp Lethality Assay. From these experiments it is clearly revealed that these analogues possess good anti-cancer activity and are good lead compounds against tumors.