| Autor: |
Antunes JE; Departamento de Química, Universidade Federal de Lavras-UFLA, CP 3037, 37200-000 Lavras, MG, Brazil., Freitas MP, da Cunha EF, Ramalho TC, Rittner R |
| Jazyk: |
angličtina |
| Zdroj: |
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2008 Aug 15; Vol. 16 (16), pp. 7599-606. Date of Electronic Publication: 2008 Jul 13. |
| DOI: |
10.1016/j.bmc.2008.07.022 |
| Abstrakt: |
A series of drug-like compounds derived from Sildenafil, Vardenafil and Tadalafil analogues were modelled through the MIA-QSAR (multivariate image analysis applied to quantitative structure-activity relationships) ligand-based approach. A highly predictive model was achieved and novel compounds, miscellany of substructures of these three representative phosphodiesterase type-5 (PDE-5) inhibitors were predicted using the calibration parameters obtained through partial least squares (PLS) regression. The high bioactivities of eight promising compounds were corroborated by docking evaluation. Calculated ADME-Tox (absorption, distribution, metabolism, excretion and toxicity) profiles for such compounds suggest advantages of some of them over the currently available, most common drugs used for the treatment of erectile dysfunction. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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