Design, Synthesis and Anticancer Screening of Cu-Catalyzed SnAr Substituted Pyridine Bridged Ring Systems

Cancer is a dreaded disease that has a devastating impact on mankind. Among them, pancreatic can-cer is renowned for its spread and low survival rate. Since the pyridine ring is abundant in the core of many cancer drugs, new molecules have been designed and synthesised with the pyridine moiety as the core. As a primary initiation step, the in silico ADMET screening and molecular docking was performed on VEGFR-2 (PDB: 4AG8). The ligands revealed their drugable nature and were found to be in compli-ance with ADMET parameters. The binding interaction ranges from-9.9 to-9.0 kcal/mol. Synthesis was performed via Cu-catalyzed and characterised by spectroscopic methods. The in vitro cell viability of CC1 and CC6 on MIA PaCa-2 exhibits IC50 values of 36.03 +/- 3.0 and 38.76 +/- 3.3 mu M, respectively. The findings recommend that molecules could be good candidates for further anticancer research.(c) 2022 Elsevier B.V. All rights reserved.

Automated summary

Pancreatic cancer is a devastating disease with a low survival rate. In this study, new molecules with a pyridine moiety were designed and synthesized for anticancer research. Computational screening and molecular docking were performed to identify drugable ligands that comply with ADMET parameters. The synthesis was successfully carried out and the molecules showed potential anticancer activity in cell viability assays.