Molecular docking, MM/GBSA and 3D-QSAR studies on EGFR inhibitors (original) (raw)
Computational Studies of Epidermal Growth Factor Receptor: Docking Reliability, Three-Dimensional Quantitative Structure−Activity Relationship Analysis, and Virtual Screening Studies
Stefania Sartini
Journal of Medicinal Chemistry, 2009
View PDFchevron_right
Computational Studies of Epidermal Growth Factor Receptor: Docking Reliability, Three-Dimensional Quantitative Structure− Activity Relationship Analysis, and …
Tiziano Tuccinardi
Journal of medicinal …, 2009
View PDFchevron_right
Design of EGFR kinase inhibitors: A ligand-based approach and its confirmation with structure-based studies
Gopalakrishnan Bulusu
Bioorganic & medicinal …, 2003
View PDFchevron_right
Structural identification of novel pyrimidine derivatives as epidermal growth factor receptor inhibitors using 3D QSAR, molecular docking, and MMGBSA analysis: a rational approach in anticancer drug design
sushil kashaw
Mediterranean Journal of Chemistry
View PDFchevron_right
Ligand based 3D-QSAR approach of EGFR
Rajeswari Jinka
View PDFchevron_right
Pharmacophore modeling, 3D-QSAR, docking and ADME prediction of quinazoline based EGFR inhibitors
Mohemmed Faraz Khan
Arabian Journal of Chemistry, 2016
View PDFchevron_right
Design, 3D QSAR modeling and docking of TGF-β type I inhibitors to target cancer
S. Kabilan
Computational biology and chemistry, 2018
View PDFchevron_right
Design of New Quinazoline Derivative as EGFR (Epidermal Growth Factor Receptor) Inhibitor through Molecular Docking and Dynamics Simulation
herlina rasyid
Indonesian Journal of Chemistry, 2020
View PDFchevron_right
QSAR and Molecular Docking of Phthalazine Derivatives as Epidermal Growth Factor Receptor (EGFR) Inhibitors
vithal kulkarni
Journal of Applied Pharmaceutical Science, 2017
View PDFchevron_right
3D-QSAR, molecular docking, and dynamics simulation of quinazoline–phosphoramidate mustard conjugates as EGFR inhibitor
resky amelia
Journal of Applied Pharmaceutical Science, 2019
View PDFchevron_right
Molecular docking, pharmacophore modeling and 3D-QSAR approach on a series of piperidone derivatives as potential anticancer agents by targeting the enzyme VEGFR-2 tyrosine kinase
nitesh sahu
View PDFchevron_right
Design of novel pyrazolyl-thiazolinone derivatives as a potential EGFR and HER-2 kinase inhibitors by 2D and 3D QSAR using kNN MFA and molecular docking method
Amruta Nikam
Journal of Current Pharma Research
View PDFchevron_right
Combined 3D-QSAR modeling and molecular docking study on multi-acting quinazoline derivatives as HER2 kinase inhibitors
Sako Mirzaie
View PDFchevron_right
3D pharmacophore-based virtual screening, docking and density functional theory approach towards the discovery of novel human epidermal growth factor receptor-2 (HER2) inhibitors
BIBHUTI KAKOTI
Journal of Theoretical Biology, 2016
View PDFchevron_right
Exploring the interaction between epidermal growth factor receptor tyrosine kinase and some of the synthesized inhibitors using combination of in-silico and in-vitro cytotoxicity methods
Mahboubeh Mansourian
Research in Pharmaceutical Sciences
View PDFchevron_right
Towards predictive inhibitor design for the EGFR autophosphorylation activity
Amor San Juan
2008
View PDFchevron_right
Molecular modeling studies of quinoline derivatives as VEGFR-2 tyrosine kinase inhibitors using pharmacophore based 3D QSAR and docking approach
alireza azizi
View PDFchevron_right
A comparative QSAR analysis and molecular docking studies of quinazoline derivatives as tyrosine kinase (EGFR) inhibitors: A rational approach to anticancer drug design
Malleshappa Noolvi
Journal of Saudi Chemical Society, 2013
View PDFchevron_right
Computational Investigation of 1, 3, 4 Oxadiazole Derivatives as Lead Inhibitors of VEGFR 2 in Comparison with EGFR: Density Functional Theory, Molecular Docking and Molecular Dynamics Simulation Studies
Seema Zargar
Biomolecules, 2022
View PDFchevron_right
Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening
Xianqiang Sun
Bioorganic & medicinal chemistry …, 2012
View PDFchevron_right
Receptor-Based Virtual Screening of EGFR Kinase Inhibitors from the NCI Diversity Database
Napat Songtawee
Molecules, 2010
View PDFchevron_right
Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations
Camila Muñoz
Journal of Molecular Graphics & Modelling
View PDFchevron_right
Pharmacophore modeling, 3D-QSAR, docking and ADME prediction of quinazoline based EGFR inhibitors Production and hosting by Elsevier
Mohemmed Faraz Khan
View PDFchevron_right
Docking and molecular dynamics studies of new potential inhibitors of the human epidermal receptor 2
Rafael Feital
Molecular Simulation, 2012
View PDFchevron_right
Implication of molecular docking in the study of structure-activity relationship of receptor tyrosine kinases inhibitors
Baratali Mashkani
2011
View PDFchevron_right