Instituto Universitario Of Bio Organica Antonio Gonzalez Iubo Ag

La Laguna, Spain

Instituto Universitario Of Bio Organica Antonio Gonzalez Iubo Ag

La Laguna, Spain

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Sutariya T.R.,Sardar Patel University | Labana B.M.,Sardar Patel University | Parmar N.J.,Sardar Patel University | Kant R.,Jammu University | And 3 more authors.
New Journal of Chemistry | Year: 2015

Syntheses of some new pyrrolo-fused pyrrolo[1,2-a] indole derivatives have been achieved by combining N-allyl-indole-2-carbaldehyde with a variety of N-alkyl-glycine esters as well as tetrahydroisoquinolines in an ionic liquid, triethylammonium acetate (TEAA), a recyclable reaction medium, via intramolecular [3+2] cycloaddition reaction. This new method is highly efficient, and the ionic liquid employed is recyclable. The stereochemistry of all the compounds was confirmed by 2D NMR NOESY and in some cases single crystal X-ray diffraction data. The in vitro screening of all new candidates against various bacterial strains and representative human solid tumor cell lines, A549 (lung), HeLa (cervix), SW1573 (lung), T-47D (breast) and WiDr (colon), revealed that many of them have good antibacterial, antifungal and antitubercular and antiproliferative activities. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2015.


Duchowicz P.R.,Institute Investigaciones Fisicoquimicas Teoricas y Aplicadas INIFTA | Bennardi D.O.,National University of La Plata | Bacelo D.E.,University of Belgrano | Bonifazi E.L.,University of Buenos Aires | And 4 more authors.
European Journal of Medicinal Chemistry | Year: 2014

The antiproliferative activities of a series of 36 naphthoquinone derivatives were subjected to a Quantitative Structure-Activity Relationships (QSAR) study. For this purpose a panel of four human cancer cell lines was used, namely HBL-100 (breast), HeLa (cervix), SW-1573 (non-small cell lung) and WiDr (colon). A conformation-independent representation of the chemical structure was established in order to avoid leading with the scarce experimental information on X-ray crystal structure of the drug interaction. The 1179 theoretical descriptors derived with E-Dragon and Recon software were simultaneously analyzed through linear regression models based on the Replacement Method variable subset selection technique. The established models were validated and tested through the use of external test sets of compounds, the Leave-One-Out Cross Validation method, Y-Randomization and Applicability Domain analysis.© 2014 Elsevier Masson SAS. All rights reserved.


Esteve J.,University of Barcelona | Lorente A.,University of Barcelona | Romea P.,University of Barcelona | Urpi F.,University of Barcelona | And 2 more authors.
European Journal of Organic Chemistry | Year: 2011

A sequential transformation based on the titanium-mediated aldol addition of (S)-1-bromo-3-(tert-butyldimethylsilyloxy)-2-butanone, a chiral lactate-derived ketone, to tetradecanal followed by reduction of the ensuing aldolate afforded the corresponding syn-1,3-diol as a single diastereomer. Debromination and further manipulation of this intermediate allowed the efficient synthesis of two enantiopure 1-deoxy-5-hydroxysphingosines, which exhibit promising biological activity against a representative panel of human cancer lines. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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