Synthesis of oxindole Schiff's base derivatives: Drug likeness and ADMET studies

Abstract

Our research goes to the synthesis of oxindole derivatives as newly drug-like small molecules. However, we synthesized oxindole-Schiff's bases (3a-b) and demonstrated computational chemistry and comparative studies with the standard multi-purpose FDA-approved Bevacizumab anticancer drug. All the synthesized compounds (3a and 3b) were characterized using UV and FT-IR spectral analysis. Further the drug-likeness properties of the synthesized compounds were demonstrated through in silico studies as a preliminary investigation. We found that synthesized compounds showed drug-like properties due to the molecular weight (M.W. < 500 Da), the number of H-bond donors (HBDs: < 5). H-bond acceptors (HBAs: 10), rotatable bonds (<10), topological polar surface area (TPSA) not higher than the thresholds of 140 A2, and the octanol-water partition coefficient (Log P) not exceeding the value of 5 constitute a number of these descriptors. In the future, the newly synthesized oxindole derivatives could be analyzed as anticancer properties against various cancer cell lines through in-vitro as well as in-vivo studies.