Molecular Frameworks and Binding Mechanisms of DNA-Targeting Agents

DNA-binding compounds are vital tools in drug development, offering promising avenues for chemotherapeutic and antimicrobial applications. These agents interact with DNA through covalent and non-covalent mechanisms. This review categorizes DNA-interactive agents based on their structural frameworks into three main groups: fused polycyclic structures, non-fused cyclic structures, and non-polycyclic compounds. We systematically analyze various classes within these categories, including aromatic fused systems like acridine derivatives, steroidal analogs, polycyclic hydrocarbons, heterocycles, and non-polycyclic structures such as azo compounds, chalcones, and heteroaromatic derivatives. Emphasizing their binding modes, thermodynamic profiles, and structural features, we highlighted the molecular interactions underpinning DNA recognition and stabilization. Understanding these mechanisms provides valuable insights for designing targeted DNA-interactive drugs with improved specificity and efficacy.

کلیدواژه ها:

DNA-binding compounds ، Non-covalent interactions ، Intercalation and groove binding