Studies on Preliminary Theorical Calculation of Peptide Nucleic Acid(PNA) Monomers
Аннотация
Peptide nucleic acid(PNA) and its analogy,as a mimic of antisense nucleic acid compounds that binds strongly to DNA and RNA in a sequence specific manner,have the superiority and the broad expectation in the field of molecular diagnostics and treatment of diseases.Here a brief review on the basic synthesis idea and several primary synthetic methods of PNA and its analogs was given.Several PNA monomers,HCU、CUH and HCC,were designed as ligands labeled by radio-nuclides.The theorical calculation was carried on under the method #RHF/6-31G* Opt,and Mulliken atomic charges,coupling atoms,electronic spatial extent,E(RHF),dipole moment and 3-D structure were obtained as preliminary optimum results,which show that these monomers contain the positions that can be coordinated with metal-nuclides and also are very stable in energy.