Impact of aryloxy-linked quinazolines: A novel series of selective VEGFR-2 receptor tyrosine kinase inhibitors

Garofalo, Antonio; Goossens, Laurence; Six, Perrine; Lemoine, Amélie; Ravez, Séverine; Farce, Amaury; Depreux, Patrick

doi:10.1016/j.bmcl.2011.01.137

Cited by 70 publications

(47 citation statements)

References 28 publications

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“…Extensive design of these small molecule inhibitors has been done by in silico screening and design methodologies. VEGFR-2 is a likely target for computational drug design as small molecule inhibitors have been derived from many molecular scaffolds, including quinazolines [14,15], naphtamides [16], furo [2,3-d]pyrimidines [17], pyridinyltriazines [18], pyrimidinyllindazoles [19], and most recently thieno [3,2-d]pyrimidinones and thieno [1][2][3] triazines [20], offering an expansive data set for design and optimization. Using SciFinder Ò as a representative search tool for the literature, 17 publications were identified which used 3-D QSAR methods to study inhibitors of VEGFR-2 [21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37].…”

Section: Introductionmentioning

confidence: 99%

Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches

Ragno

Ballante

Pirolli

et al. 2015

J Comput Aided Mol Des

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Vascular endothelial growth factor receptor-2, (VEGFR-2), is a key element in angiogenesis, the process by which new blood vessels are formed, and is thus an important pharmaceutical target. Here, 3-D quantitative structure-activity relationship (3-D QSAR) were used to build a quantitative screening and pharmacophore model of the VEGFR-2 receptors for design of inhibitors with improved activities. Most of available experimental data information has been used as training set to derive optimized and fully cross-validated eight mono-probe and a multi-probe quantitative models. Notable is the use of 262 molecules, aligned following both structure-based and ligand-based protocols, as external test set confirming the 3-D QSAR models' predictive capability and their usefulness in design new VEGFR-2 inhibitors. From a survey on literature, this is the first generation of a wide-ranging computational medicinal chemistry application on VEGFR2 inhibitors.

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Section: Introductionmentioning

confidence: 99%

Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches

Ragno

Ballante

Pirolli

et al. 2015

J Comput Aided Mol Des

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“…All the synthesized compounds were evaluated for their antiproliferative activity in vitro using MTT assay against two cancer cell lines; namely HT‐29 (human colon cancer) and MCF‐7 (human breast cancer) cell lines. The VEGFR‐2 enzyme is well known to express in these cancer cell lines, that can be traced from the literature . Further, inhibitory activity against VEGFR‐2 kinase by in vitro assay was performed.…”

Section: Introductionmentioning

confidence: 99%

Design, synthesis, in silico and antiproliferative evaluation of novel pyrazole derivatives as VEGFR‐2 inhibitors

Ravula

Vamaraju

Paturi

et al. 2017

Archiv der Pharmazie

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As the blockade of the VEGFR-2 signaling pathway is a viable approach in cancer therapy, the present study focuses on a series of pyrazole based VEGFR-2 inhibitors that were designed on the basis of the hybridization approach, supported by docking and in silico computational studies. The designed compounds were synthesized through facile synthetic methods and the structures were K E Y W O R D Santiproliferative activity, molecular modeling, synthesis, VEGFR-2

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“…Recent studies discovered that Nimbolide has capability of binding 12.3% to a Glycine 131 with polar interactions. Nimbolide was known to combine with Cyclin E, which causes phosphorylation of cancer cell and stop the G1/S phase protein expression [7] .…”

Section: Introductionmentioning

confidence: 99%

Development of Nimbolide from Seeds of Azadirachta Indica Extract Assisted by Molecular Docking to Cyclin E, against Cervical Cancer

Singh¹,

Saini²,

Ranganayakulu³

et al. 2017

IOSRJPBS

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Impact of aryloxy-linked quinazolines: A novel series of selective VEGFR-2 receptor tyrosine kinase inhibitors

Cited by 70 publications

References 28 publications

Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches

Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches

Design, synthesis, in silico and antiproliferative evaluation of novel pyrazole derivatives as VEGFR‐2 inhibitors

Development of Nimbolide from Seeds of Azadirachta Indica Extract Assisted by Molecular Docking to Cyclin E, against Cervical Cancer

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