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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Yang, Xinping Dong, Ziliang Liu, Rutao Cao, Zhaozhen Chen, Yadong |
| Description | Author Affiliation: Cao Z ( School of Environmental Science and Engineering, China-America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province, PR China); Liu R ( School of Environmental Science and Engineering, China-America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province, PR China. Electronic address: rutaoliu@sdu.edu.cn.); Dong Z ( China Research Institute of Daily Chemical Industry, Taiyuan 030001, Shanxi Province, PR China.); Yang X ( School of Environmental Science and Engineering, China-America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province, PR China.); Chen Y ( Laboratory of Molecular Design and Drug Discovery, School of Basic Science, China Pharmaceutical University, Nanjing 210009, PR China.) |
| Abstract | The effect of sarafloxacin to Cu/ZnSOD was evaluated via investigating the change in Cu/ZnSOD structure and the structure basis activity upon sarafloxacin binding. Multi-spectroscopic methods, isothermal titration microcalorimetry (ITC) and molecular docking method were adopted in this study. Sarafloxacin binds to Cu/ZnSOD mainly through hydrophobic and hydrogen bond forces and tends to be saturated as the molar ratio of sarafloxacin to Cu/ZnSOD reaches 4. The binding changed the microenvironment around Tyr and the secondary structure of Cu/ZnSOD but did not affect the activity of Cu/ZnSOD. Molecular docking study revealed that sarafloxacin binds into a hydrophobic area with possibility to form hydrogen bonds with Tyr 108, Asp 25, Pro 100 and Ser 103 of Cu/ZnSOD. The binding area locates on the surface of ß-barrel close to the second Greek key loop (GK2) and V-loop but far away from the active site and active site channel of Cu/ZnSOD. These promoted the understanding of the experiment phenomenons. The binding of sarafloxacin does not affect the activity of Cu/ZnSOD should attribute to the binding not to change the microenvironment of Cu/ZnSOD active site and active site channel. |
| ISSN | 13861425 |
| Volume Number | 136 Pt B |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2015-02-05 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Anti-bacterial Agents Metabolism Ciprofloxacin Analogs & Derivatives Superoxide Dismutase Animals Enzyme Activation Drug Effects Molecular Docking Simulation Protein Binding Protein Conformation Chemistry Swine Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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