Work

Synthesis, molecular structure, supramolecular and biological evaluation of benzimidazole-based Schiff bases

Year: 2026

Type: article

Abstract: BepA metalloprotease (6SAR) and human DNA topoisomerase IIα (5GWK) using molecular docking exhibited favorable predicted protein-ligand interactions, involving hydrogen-bonding, hydrophobic and π-stacking interactions. HL1 had a more favorable predicted binding affinity towards BepA metalloprotease, whereas HL2 had a more favorable predicted binding affinity towards human DNA topoisomerase IIα, which was associated with enhanced hydrophobic interactions.

Source: RSC Advances

DOI: 10.1039/d6ra07753f