In silico studies, synthesis, characterization and in vitro studies of levosulpiride derivatives.

Aim: Breast cancer is the most recurring cancer among females and is being diagnosed as a major cause of death among women. Materials & methods: Levosulpiride Schiff base derivatives were synthesized and analyzed by physical and spectral (FTIR, ¹ H-NMR, ¹³ C-NMR) analysis. MTT assay against MCF-7 (human breast cancer cell line), scavenging activity and Molecular docking against receptors 1M17, 3PP0, 3IOK and 4KIK along ADME pharmacokinetic studies were performed. Results & conclusion: L1 and L3 synthesized derivatives have revealed better percent cell viability and inhibitory concentration (IC ₅₀ ) with scavenging activity as of the parent compound. L1, L3 and L9 revealed significant docking scores compared with standard drugs. Most of the derivatives showed strong pharmacokinetic profiles while no drug crossed blood-brain barrier. The newly synthesized L1 and L3 levosulpiride-derived compounds have demonstrated promising anticancer properties against breast cancer cells.