Recent Progress of the Interaction Mechanism between Bio macromolecules with Ligands Based on Combining Spectroscopy Analysis with Molecular Docking.

In this article, the research works combing spectroscopy analysis with molecular docking calculations to explain the interaction between protein, DNA, and viral nudec acid with Ligands on molecular level were summarized. The changes in the intensity and position of spectra signals obtained by spectroscopy Instruments including UV-visible spectroscopy, fluorescence spectrum, circular dichotic spectrum, Fousier transform infrared spectrometer and three-dimensional fluorescence spectrum were discussed, witch could directly or indirectly obtain information about the structure changes of the macromolecule, the influence on specific groups, and the thermodynamic parameters when macromolecules interact with probes. Meanwhile, molecular docking calculations can sinus[ate the interactions between Ligands and receptor, such as docking position, binding energy, type and distance of the interactions, etc. Combining molecular docking with spectroscopy makes the analysis of binding mechanism between receptor and Ligands more accurate and rehab. Finally, the research works in thus field were summarized and there developments in the future were also prospected. [ABSTRACT FROM AUTHOR]