1363792-16-8Relevant academic research and scientific papers
Discovery of in vitro antitubercular agents through in silico ligand-based approaches
De Vita, Daniela,Pandolfi, Fabiana,Cirilli, Roberto,Scipione, Luigi,Di Santo, Roberto,Friggeri, Laura,Mori, Mattia,Fiorucci, Diego,Maccari, Giorgio,Christopher, Robert Selwyne Arul,Zamperini, Claudio,Pau, Valentina,De Logu, Alessandro,Tortorella, Silvano,Botta, Maurizio
, p. 169 - 180 (2016/06/09)
The development of new anti-tubercular agents represents a constant challenge mostly due to the insurgency of resistance to the currently available drugs. In this study, a set of 60 molecules were selected by screening the Asinex and the ZINC collections and an in house library by means of in silico ligand-based approaches. Biological assays in Mycobacterium tuberculosis H37Ra ATCC 25177 strain highlighted (±)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl-4-(3,4-dichlorophenyl)piperazine-1-carboxylate (5i) and 3-(4-chlorophenyl)-5-(2,4-dimethylpyrimidin-5-yl)-2-methylpyrazolo[1.5-a]pyrimidin-7(4H)-one (42) as the most potent compounds, having a Minimum Inhibitory Concentration (MIC) of 4 and 2 μg/4g/mL respectively. These molecules represent a good starting point for further optimization of effective anti-TB agents.
Synthesis and antifungal activity of a new series of 2-(1H-imidazol-1-yl)- 1-phenylethanol derivatives
De Vita, Daniela,Scipione, Luigi,Tortorella, Silvano,Mellini, Paolo,Di Rienzo, Barbara,Simonetti, Giovanna,D'Auria, Felicia Diodata,Panella, Simona,Cirilli, Roberto,Di Santo, Roberto,Palamara, Anna Teresa
, p. 334 - 342 (2012/04/10)
A new series of aromatic ester and carbamate derivatives of 2-(1H-imidazol-1-yl)-1-phenylethanol were synthesized and evaluated for their antifungal activity towards Candida albicans and non-albicans Candida species strains. The aromatic biphenyl ester derivatives 6a-c were more active than the reference compound fluconazole. 6c possesses a MIC mean values of 1.7 ± 1.4 μg mL-1 vs C. albicans and 1.9 ± 2.0 μg mL -1 vs non-albicans Candida species strains. The racemic mixtures of 6a, b were purified to afford the pure enantiomers. The (-) isomers were up to 500 times more active than (+) isomers. (-)-6a and (-)-6b were thirty and ninety times more active than fluconazole towards C. krusei strain respectively. The racemates of 6a-c showed low cytotoxicity against human monocytic cell line (U937) with 6a demonstrating a CC50 greater than 128 μg mL -1.
