| Autor: |
Menezes Fabiano A. S., Montanari Carlos A., Bruns Roy E. |
| Jazyk: |
angličtina |
| Rok vydání: |
2000 |
| Předmět: |
|
| Zdroj: |
Journal of the Brazilian Chemical Society, Vol 11, Iss 4, Pp 393-397 (2000) |
| Druh dokumentu: |
article |
| ISSN: |
0103-5053 |
| Popis: |
A proposed model for the interaction of bisamidine analogues with the B-DNA receptor is established by structure-property relationship studies derived from 3D-WHIM descriptor calculations. Three classes, each with relevant information about structural relationships, were determined by PCA and SIMCA analyses for molecular conformations described by 3D-WHIM descriptors for a set of 29 bisamidines with antileishmaniasis and anti-PCP activities. Shape, distribution and dimension properties mostly govern the interaction of bisamidines with B-DNA through the minor groove AT rich regions. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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