2-Arylquinolines as novel anticancer agents with dual EGFR/FAK kinase inhibitory activity: synthesis, biological evaluation, and molecular modelling insights
MM Elbadawi, WM Eldehna… - … of Enzyme Inhibition …, 2022 - Taylor & Francis
… of morpholine together with 2-(p-Cl phenyl) and 6–(2-furyl) 20f afforded the most potent
EGFR inhibitors in this study displaying IC 50 range from 20.15 ± 1.07 to 25.39 ± 3.49 nM. …
EGFR inhibitors in this study displaying IC 50 range from 20.15 ± 1.07 to 25.39 ± 3.49 nM. …
Design, synthesis, biological evaluation, QSAR analysis and molecular modelling of new thiazol-benzimidazoles as EGFR inhibitors
AM Srour, NS Ahmed, SS Abd El-Karim… - Bioorganic & Medicinal …, 2020 - Elsevier
… as well as PARP-1 inhibition. QSAR analysis and molecular modelling studies were carried
… representing the binding modes of the promising compounds in the active pocket of EGFR. …
… representing the binding modes of the promising compounds in the active pocket of EGFR. …
Synthesis, antitumour and antioxidant activities of novel α, β-unsaturated ketones and related heterocyclic analogues: EGFR inhibition and molecular modelling study
WM El-Husseiny, MAA El-Sayed… - … of Enzyme Inhibition …, 2018 - Taylor & Francis
… , antioxidant, and EGFR kinase inhibition activities of the designed molecules (G; Figure 1 )
… subjected to EGFR kinase inhibition test and docked into the binding sites of EGFR kinase …
… subjected to EGFR kinase inhibition test and docked into the binding sites of EGFR kinase …
Design, synthesis, in vitro anticancer evaluation and molecular modelling studies of 3, 4, 5-trimethoxyphenyl-based derivatives as dual EGFR/HDAC hybrid inhibitors
TS Ibrahim, AM Malebari, MFA Mohamed - Pharmaceuticals, 2021 - mdpi.com
… data that dual inhibition of EGFR/… inhibitors [19,39,40,41,42] and EGFR inhibitors 1M17
[43,44], the present study was designed for synthesis of novel dual EGFR/HDAC hybrid inhibitors …
[43,44], the present study was designed for synthesis of novel dual EGFR/HDAC hybrid inhibitors …
Novel allosteric inhibitor to target drug resistance in EGFR mutant: molecular modelling and free energy approach
… EGFR T790M+C797S mutant TK allosteric inhibitors from the ZINC database. The screening
comprised XP molecular docking of 3,92,945 compounds into the allosteric site of EGFR …
comprised XP molecular docking of 3,92,945 compounds into the allosteric site of EGFR …
Studies on ligand-based pharmacophore modeling approach in identifying potent future EGFR inhibitors
… their role in inhibiting EGFR. Hence, in the present research we have taken EGFR inhibitors
which are in various phases of clinical trials and a ligand-based pharmacophore model was …
which are in various phases of clinical trials and a ligand-based pharmacophore model was …
Design, synthesis and molecular modeling of biquinoline–pyridine hybrids as a new class of potential EGFR and HER-2 kinase inhibitors
CB Sangani, JA Makawana, YT Duan, Y Yin… - Bioorganic & Medicinal …, 2014 - Elsevier
… In the molecular modelling study, compound 9i was bound in to the active pocket of EGFR
with four hydrogen bonds and two π–cation interactions having minimum binding energy ΔG b …
with four hydrogen bonds and two π–cation interactions having minimum binding energy ΔG b …
Pharmacophore modelling, molecular docking and virtual screening for EGFR (HER 1) tyrosine kinase inhibitors
… model has been developed using diverse classes of epidermal growth factor receptor (EGFR)
tyrosine kinase (TK) inhibitors … The model also maps well to the external test set molecules …
tyrosine kinase (TK) inhibitors … The model also maps well to the external test set molecules …
New thiazole-based derivatives as EGFR/HER2 and DHFR inhibitors: Synthesis, molecular modeling simulations and anticancer activity
… as reference selective EGFR and HER2 kinase inhibitors respectively [25,… EGFR/HER2
kinase inhibitors in this study with IC 50 values of 0.153 (EGFR), 0.108 (HER2), and 0.122 (EGFR)…
kinase inhibitors in this study with IC 50 values of 0.153 (EGFR), 0.108 (HER2), and 0.122 (EGFR)…
Homology models of the mutated EGFR and their response towards quinazolin analogues
S Kotra, KK Madala, K Jamil - Journal of Molecular Graphics and Modelling, 2008 - Elsevier
… between the inhibitor molecules and the … models that we constructed for molecular docking
studies to rationally design compounds predicted to bind favorably to the modeled EGFR …
studies to rationally design compounds predicted to bind favorably to the modeled EGFR …
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