Publication

Abstract : Many reports have shown that Andrographolide and its derivatives possess notable anticancer activity. In this study, we present the molecular docking studies of some newly synthesized C-12 substituted-14-deoxy-andrographolide derivatives. This helped to evaluate the probable targets of action responsible for the observed in vitro anti-cancer activity. This work delineates the role of the interacting amino acids residues in the active site. Consequently, the structure activity relationship (SAR) helps in drug design by demonstrating the effect of the C-12 substituent on the target site drug interaction. Finally, the compliance to Lipinski’s parameters demonstrates their potential as promising leads in further anti-cancer drug development.