ISBN: 978-981-11-3671-9 DOI: 10.18178/wcse.2017.06.235
Aminotransferases Screening of Nitro-D-Arginine Using Molecular Modeling
Abstract— This study is intended to screen the potential aminotransferases using molecular modeling
technique. In detail, the sybyl-x software was employed to simulate the second step of catalysis process of
nitro-D-arginine (D-NNA) by aminotransferases whose structural data were from Protein Data Bank (PDB).
Results showed the most suitable candidate aminotransferase was human mitochondrial aspartate
aminotransferase in the range of our research, which might aid to shortening the drug developing cycle and
increasing the efficiency of lead compound discovery.
Index Terms— molecular modeling, aminotransferase screen, nitro-D-arginine
Xiangfei Yang, Shupeng Liu, Na Chen, Zhenyi Chen, Heng Zhang
Key Laboratory of Specialty Fiber Optics and Optical Access Networks, School of Communication and Information Engineering, Shanghai University, CHINA
2State Key Laboratory of Safety Evaluation for New Drugs, Zhejiang Academy of Medical Sciences, CHINA
Beijing Advanced Innovation Center for Imaging Technology, Capital Normal University, CHINA
ISBN: 978-981-11-3671-9 DOI: 10.18178/wcse.2017.06.17Xsrc="http://www.wcse.org/uploadfile/2019/0823/20190823055609629.png" style="width: 120px; height: 68px;" />[Download]
Cite: Xiangfei Yang, Shupeng Liu, Na Chen, Zhenyi Chen, Yanfei Xin, Heng Zhang, Taihao Li, "Aminotransferases Screening of Nitro-D-Arginine Using Molecular Modeling," Proceedings of 2017 the 7th International Workshop on Computer Science and Engineering, pp. 1358-1361, Beijing, 25-27 June, 2017.