Docking and 3-D QSAR studies of dual PDE4-PDE7 inhibitors†

Autor:	S.-E. Yoo, N. S. Kang, J. H. Song, D. J. Jhon
Rok vydání:	2007
Předmět:	Quantitative structure–activity relationship Docking (molecular) Chemistry General Chemical Engineering Modeling and Simulation General Materials Science General Chemistry Condensed Matter Physics Combinatorial chemistry Medicinal chemistry Information Systems
Zdroj:	Molecular Simulation. 33:1109-1117
ISSN:	1029-0435 0892-7022
DOI:	10.1080/08927020701630205
Popis:	Small dual-specificity molecules inhibiting PDE4 and PDE7 can be used to treat inflammatory diseases. To design and synthesize dual PDE4 and PDE7 inhibitors, we carried out the target-based docking and the 3D QSAR study using CoMFA. Three compounds were synthesized. We predicted their inhibitory activities using our 3D QSAR model and tested their activities against PDE4 and PDE7 in vitro.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3b9f4c30ec54f28c2e0f2fd5dc027be2 https://doi.org/10.1080/08927020701630205 Zobrazit plný text záznamu