Alignment-independent QSAR Analysis of SecA Inhibitors

作者：Xu Min; Bi Yiling; Zhu Mengyuan; Li Minyong^*

来源：Protein and Peptide Letters, 2013, 20(7): 802-807.

DOI：10.2174/0929866511320070010

• SecA ATPase
• inhibitors
• antimicrobial drug
• 3D-QSAR

SecA ATPase plays a crucial role in translocation of membrane and secreted polypeptides and proteins in bacteria and therefore a perfect target for novel antimicrobial drug design. Herein, we generated QSAR models with an alignment-independent method. The optimum model obtained for the training set was statistically significant with cross-validation regression coefficient (q(2)) value of 0.40 and correlation coefficient (r(2)) value of 0.89. These results suggest that this 3D-QSAR model can be used to guide the development of new SecA inhibitors.

• 出版日期2013-7
• 单位山东大学