Drug design was performed through the Virtual Lock-and-Key (VLAK) protocol. This in silico approach allowed to select new annelated thienotriazolopyrimidine derivs., potentially antitumor drugs. Starting from benzothieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine and pyrido[3',2':4,5]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine core structures, new derivs. of these nuclei were designed and synthesized. Three of them were selected by the Development Therapeutical Program (DTP) of the National Cancer Institute (NCI) for the anticancer screening against a panel of 60 human tumor cell lines. The biol. results showed that the new derivs. exhibited an excellent antiproliferative activity reaching sub-micromolar concn. Moreover, to be evidenced their low toxicity and high potency.

Lauria, A., Abbate, I., Patella, C., Martorana, A., Dattolo, G., & Almerico, A.M. (2013). New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 62, 416-424 [dx.doi.org/10.1016/j.ejmech.2013.01.019].

New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol

LAURIA, Antonino;MARTORANA, Annamaria;DATTOLO, Gaetano;ALMERICO, Anna Maria
2013

Abstract

Drug design was performed through the Virtual Lock-and-Key (VLAK) protocol. This in silico approach allowed to select new annelated thienotriazolopyrimidine derivs., potentially antitumor drugs. Starting from benzothieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine and pyrido[3',2':4,5]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine core structures, new derivs. of these nuclei were designed and synthesized. Three of them were selected by the Development Therapeutical Program (DTP) of the National Cancer Institute (NCI) for the anticancer screening against a panel of 60 human tumor cell lines. The biol. results showed that the new derivs. exhibited an excellent antiproliferative activity reaching sub-micromolar concn. Moreover, to be evidenced their low toxicity and high potency.
Settore CHIM/08 - Chimica Farmaceutica
Lauria, A., Abbate, I., Patella, C., Martorana, A., Dattolo, G., & Almerico, A.M. (2013). New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 62, 416-424 [dx.doi.org/10.1016/j.ejmech.2013.01.019].
File in questo prodotto:
File Dimensione Formato  
13-EJMC416.pdf

Solo gestori archvio

Descrizione: Articolo principale
Dimensione 758.52 kB
Formato Adobe PDF
758.52 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10447/73054
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 41
  • ???jsp.display-item.citation.isi??? 40
social impact