Synthesis, ADME, Toxicity, and In Silico Molecular Docking Study of Novel β-Carboline Derivatives as Potential Inhibitor Anticancer Agents

In the present study, a series of new 5-(9-benzyl-1-methyl-9H-pyrido[3,4-b] indol-3-yl)-1,3,4-oxadiazol-2-amine were designed, synthesized (4A-B) by using conventional synthetic methods. 1H NMR, IR, and mass spectral data were used to evaluate the structures of synthesized compounds. Besides the in silico molecular docking, have been done on these newer synthesized compounds in the active pocket of Protein kinase inhibition by staurosporine PDB:1aq1 complex, It shows a good binding interaction in the active pocket PDB:1aq1 enzyme. The ADME and cytotoxicity properties suggest that this compound is best for further studies.