Structure — Activity Relationships of Nitrofuran Derivatives with Antibacterial Activity

Autor: J R M Pires, Astéa Giesbrecht, Suely Lopes Gomes, Antonia T. do-Amaral
Rok vydání: 2000
Předmět:
Zdroj: Molecular Modeling and Prediction of Bioactivity ISBN: 9781461368571
Popis: The antimicrobial activity of nitroaromatic compounds requires and is related to an enzymatic reduction of the nitro group in vivo, yielding toxic species1. In the present work, QSAR analysis of nine 5-X-substituted 2-(5-nitro-2-furfurilidene)-3-oxo-2,3-dihydrobenzofuranes, (set 1),were performed in order to gain an insight into their physico-chemical features which describe the antibacterial activities, evaluated for a Gram-positive and a Gram-negative bacteria: Staphylococcus aureus (ATCC-25923) and Caulobacter crescentus (NA 1000), respectively. In addition, five 5′-X-substituted 1-(2-hydroxy-phenyl)-3-(5-nitro-2furyl)-2-propen-1-ones, (set II), and their corresponding acetilated analogs, (set III), were included in the analysis to verify the role of the benzofuran ring on the activity.
Databáze: OpenAIRE