Classification of polypeptides by ligand geometry and related methods

作者: Daniel S Sem , Mark Hansen

DOI:

关键词:

摘要: The invention provides a method for identifying pharmacocluster. includes the steps of (a) determining bound conformations ligand to different polypeptides, and (b) clustering two or more having substantially same conformation, thereby also member polypeptide pharmacofamily. polypeptides family, conformations, at least pharmacofamilies exhibiting binding specificity ligand.

参考文章(8)
Ting-Fung Chan, X F Steven Zheng, Chemical genomics: a systematic approach in biological research and drug discovery. Current Issues in Molecular Biology. ,vol. 4, pp. 33- 43 ,(2002)
Christian Lemmen, Thomas Lengauer, Gerhard Klebe, FlexS: A Method for Fast Flexible Ligand Superposition Journal of Medicinal Chemistry. ,vol. 41, pp. 4502- 4520 ,(1998) , 10.1021/JM981037L
Daniel S. Sem, Mark Kelly, Qing Dong, Maurizio Pellecchia, Min S. Lee, Nuclear magnetic resonance assembly of chemical entities ,(2002)
Daniel S. Sem, Maurizio Pellecchia, Anna Tempczyk-Russell, NMR-solve method for rapid identification of bi-ligand drug candidates ,(2001)
Daniel S. Sem, Maurizio Pellecchia, Sea-trosy and related methods ,(2001)