Screening for New Agonists Against Alzheimers Disease

Title: Screening for New Agonists Against Alzheimers Disease

Volume: 3 Issue: 5

Author(s): Huiqin Zheng, Dong-Qing Wei, Rui Zhang, Chunfang Wang, Huachun Wei and Kuo-Chen Chou

Affiliation:

Keywords: Alzheimer's disease, α7 receptor, GTS-21, pharmacophore alignment, docking, traditional chinese medicines database

Abstract: To find new drug candidates for treating Alzheimers disease, we used the similarity search technique and GTS-21 as a template to search the Traditional Chinese Medicines Database. The high-score molecules thus obtained were compared with the template through the flexible alignment. Those molecules which had good alignment with GTS- 21 were selected for conducting the docking studies aimed at the α7 nicotinic acetylcholine receptor. The CHARMM22 force field was taken to compute the partial charge and the TABU search was adopted to operate the docking process. The docking results thus obtained were used to compare with that of GTS-21. Those molecules which had better docking results than that of GTS-21 were singled out for further consideration. Finally, it was found through an in-depth structural analysis that Mol 7235 might be a promising candidate for further modification by experiments to make it become an effective drug for treating Alzheimers disease.

Cite this article as:

Zheng Huiqin, Wei Dong-Qing, Zhang Rui, Wang Chunfang, Wei Huachun and Chou Kuo-Chen, Screening for New Agonists Against Alzheimers Disease, Medicinal Chemistry 2007; 3 (5) . https://dx.doi.org/10.2174/157340607781745492