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

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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.
Lingua originaleEnglish
pagine (da-a)416-424
Numero di pagine9
RivistaEuropean Journal of Medicinal Chemistry
Volume62
Stato di pubblicazionePublished - 2013

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Pyrimidines
National Cancer Institute (U.S.)
Drug Design
Tumor Cell Line
Computer Simulation
Antineoplastic Agents
Toxicity
Tumors
Screening
Cells
Pharmaceutical Preparations
pyrimidine

All Science Journal Classification (ASJC) codes

  • Pharmacology
  • Drug Discovery
  • Organic Chemistry

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title = "New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol",
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.",
author = "Antonino Lauria and Almerico, {Anna Maria} and Annamaria Martorana and Gaetano Dattolo",
year = "2013",
language = "English",
volume = "62",
pages = "416--424",
journal = "European Journal of Medicinal Chemistry",
issn = "0223-5234",
publisher = "Elsevier Masson SAS",

}

TY - JOUR

T1 - New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol

AU - Lauria, Antonino

AU - Almerico, Anna Maria

AU - Martorana, Annamaria

AU - Dattolo, Gaetano

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10447/73054

M3 - Article

VL - 62

SP - 416

EP - 424

JO - European Journal of Medicinal Chemistry

JF - European Journal of Medicinal Chemistry

SN - 0223-5234

ER -