Programs
- M. Tech. in Automotive Engineering -
- Clinical Fellowship in Laboratory Genetics & Genomics - Fellowship
Publication Type : Journal Article
Thematic Areas : Nanosciences and Molecular Medicine
Publisher : Journal of Molecular Modeling
Source : Journal of Molecular Modeling, Volume 16, Number 4, p.669–676 (2010)
Url : https://doi.org/10.1007/s00894-009-0621-z
Campus : Kochi
School : Center for Nanosciences
Center : Amrita Center for Nanosciences and Molecular Medicine Move, Nanosciences
Department : Nanosciences and Molecular Medicine
Year : 2010
Abstract : Asthma is an inflammatory disease of the lungs. Clinical studies suggest that eotaxin and chemokine receptor-3 (CCR3) play a primary role in the recruitment of eosinophils in allergic asthma. Development of novel and potent CCR3 antagonists could provide a novel mechanism for inhibition of this recruitment process, thereby preventing asthma. With the intention of designing new ligands with enhanced inhibitor potencies against CCR3, a 3D-QSAR CoMFA study was carried out on 41 4-benzylpiperidinealkylureas and amide derivatives. The best statistics of the developed CoMFA model were r 2þinspace}=þinspace}0.960, {$}{$} r{_}{{}cv{}}^2 = 0.589 {$}{$} , nþinspace}=þinspace}32 for the training set and {$}{$} r{_}{{}pred{}}^2 = 0.619 {$}{$} , nþinspace}=þinspace}9 for the test set. The generated 3D-QSAR contribution maps shed some light on the effects of the substitution pattern related to CCR3 antagonist activity.
Cite this Research Publication : V. Jain, Pandey, A., Gupta, S., and Dr. Gopi Mohan C., “Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists”, Journal of Molecular Modeling, vol. 16, pp. 669–676, 2010.