A Facile One-Pot Synthesis of Benzimidazole-Linked Pyrrole Structural Motifs via Multicomponent Approach: Design, Synthesis, and Molecular Docking Studies

Novel, a series of pyrrolyl-thio alkylated/aryl alkylated benzimidazole derivatives were synthesized via one-pot, the three-component reaction of 5-amino-2-mercaptobenzimidazole, 2,5-dimethoxytetrahydrofuran, and different substituted alkyl/aryl alkyl halides in acetic acid and sodium acetate is described. The newly synthesized scaffolds were purified and confirmed by their spectroscopic (IR, H-1-NMR, C-13-NMR, Mass) and elemental analysis. Further, in silico molecular docking studies were carried out for the synthesized compounds against the colchicine binding site of alpha beta-tubulin (PDB ID: 1SA0). Among all the synthesized compounds 4j, 4p was shown good binding affinity with colchicine binding site of alpha beta-tubulin.