金属卟啉对杂环及DNA分子识别研究进展

介绍了近几年国内外关于组装金属卟啉对杂环分子、DNA碱基以及RNA的分子识别的研究进展, 并简述了本课题组对金属卟啉与杂环及药物分子复合物的理论研究工作. 金属卟啉广泛存在于自然界和生物体中, 此识别过程对研究和模拟生命体中各种细胞之间的相互作用具有重要意义. 组装后的金属卟啉可通过轴向配位、氢键及π-π堆积作用等识别杂环分子. 金属卟啉对DNA的识别主要有四种作用方式, 而金属卟啉对DNA以及RNA分子的识别主要靠疏水作用力、静电力以及自堆叠作用. 卟啉阳离子与DNA的结合位点受主体侧链取代基的空间结构影响. 金属卟啉对药物分子的识别靠配位键和氢键进行, 以配位键结合的复合物通常具有更高的结合能.

Progress in Binding Affinities of Metal Porphyrins to Heterocycles and DNA

The novel development on the binding affinities of self-assembled metal porphyrins to heterocycles, DNA base pairs and RNA has been introduced. Theoretical research in our group on the complexes formed by the metal porphyrins with heterocyclic and pharmaceutical molecules has been summarized. The metal porphyrins widely exist in the natural world and biological organisms. These binding processes are important to exploring and simulating the interactions among different kinds of cells in living things. The binding affinities of the self-assembled metal porphyrins to heterocycles are caused by ligation effects, hy-drogen bonds and π-π interactions. There exist four binding situations between the metal porphyrins and DNA. The binding processes of metal porphyrins to DNA and RNA result from hydrophobic, static and self-stacking interactions. The binding sites of cationic porphyrins to DNA are affected by the steric effect of substituents on the side chain. The metal porphyrins bind pharmaceutical molecules mainly via ligation in-teraction and hydrogen bonding. The complexes formed by ligation exhibit stronger binding affinities than those formed by hydrogen bonds.