PHARMACOPHORE MODELING AND QSAR STUDY OF THIENO (3, 2 - b) PYRIMIDINE ANALOGS AS VEGFR-2 INHIBITORS Original Article
@inproceedings{Prabhu2014PHARMACOPHOREMA, title={PHARMACOPHORE MODELING AND QSAR STUDY OF THIENO (3, 2 - b) PYRIMIDINE ANALOGS AS VEGFR-2 INHIBITORS Original Article}, author={Krishnananda Prabhu and Manoj Kumar and V. K. Gopalakrishnan}, year={2014} }
Objective: Vascular endothelial growth factor (VEGF) and its receptor tyrosine kinase VEGFR-2 are critical regulators for the activation of angiogenesis and tumor progression. Thus the VEGFR-2 inhibition represents an attractive target for drug discovery in most of the cancers. To know the structural requirements that will lead to enhanced inhibitory activities, the 3D-QSAR (quantitative structure-activity relationship) studies were performed on series of thieno [3, 2 - b] pyrimidine molecules…
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References
SHOWING 1-10 OF 22 REFERENCES
Pharmacophore based 3D-QSAR modeling and free energy analysis of VEGFR-2 inhibitors
- Biology, ChemistryJournal of enzyme inhibition and medicinal chemistry
- 2013
A pharmacophore hypothesis representing the identified interactions pattern and its further application as a template in screening databases to identify novel VEGFR-2 inhibitor scaffolds is proposed.
1-Aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as VEGFR-2 Tyrosine Kinase Inhibitors: Synthesis, Biological Evaluation, and Molecular Modelling Studies
- Biology, ChemistryBioMed research international
- 2013
Novel 1-aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas were synthesized and evaluated for the VEGFR-2 tyrosine kinase inhibition, and it was possible to conclude that the compounds significantly inhibit the phosphorylation of the receptor at 1 µM pointing to their antiproliferative mechanism of action in HUVECs.
Inhibitory mode of N-phenyl-4-pyrazolo[1,5-b] pyridazin-3-ylpyrimidin-2-amine series derivatives against GSK-3: molecular docking and 3D-QSAR analyses.
- Chemistry, BiologyProtein engineering, design & selection : PEDS
- 2006
Combined ligand-based and receptor-based modeling is a powerful approach to build 3D-QSAR models and mapping these models back to the topology of the active site of GSK-3 led to a better understanding of the vital N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amines-GSK-3 interactions.
Discovery of a novel and potent series of thieno[3,2-b]pyridine-based inhibitors of c-Met and VEGFR2 tyrosine kinases.
- Chemistry, BiologyBioorganic & medicinal chemistry letters
- 2008
A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer.
- BiologyJournal of theoretical biology
- 2009
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
- BiologyJ. Comput. Aided Mol. Des.
- 2006
PHASE is compared directly to other ligand-based software for its ability to identify target pharmacophores, rationalize structure-activity data, and predict activities of external compounds.
Discovery and development of bevacizumab, an anti-VEGF antibody for treating cancer
- BiologyNature Reviews Drug Discovery
- 2004
The recent approval of bevacizumab by the US FDA as a first-line therapy for metastatic colorectal cancer validates the ideas that VEGF is a key mediator of tumour angiogenesis and that blockingAngiogenesis is an effective strategy to treat human cancer.
Vascular Endothelial Growth Factor Mediates Intracrine Survival in Human Breast Carcinoma Cells through Internally Expressed VEGFR1/FLT1
- Biology, MedicinePLoS medicine
- 2007
Evidence of a unique survival system in breast cancer cells by which VEGF can act as an internal autocrine (intracrine) survival factor through its binding to VEGFR1 is provided.
Molecular mechanisms and clinical applications of angiogenesis
- Biology, MedicineNature
- 2011
Preclinical and clinical studies have shown new molecular targets and principles, which may provide avenues for improving the therapeutic benefit from anti-angiogenic strategies.