Kinetic and thermodynamic insights into interaction of erlotinib with epidermal growth factor receptor: Surface plasmon resonance and molecular docking approaches
S Mohammadzadeh-Asl, A Aghanejad, R Yekta… - International Journal of …, 2020 - Elsevier
Epidermal growth factor receptor (EGFR) plays an important role in cell proliferation at non-
small cell lung cancer (NSCLC). Therefore, targeted therapy of cancer via this kind of …
small cell lung cancer (NSCLC). Therefore, targeted therapy of cancer via this kind of …
Comparative experimental/theoretical studies on the EGFR dimerization under the effect of EGF/EGF analogues binding: Highlighting the importance of EGF/EGFR …
Epidermal growth factor receptors (EGFRs) and their cytoplasmic tyrosine kinases play
significant roles in cell proliferation and signaling. All the members of the EGFR/ErbB family …
significant roles in cell proliferation and signaling. All the members of the EGFR/ErbB family …
Computational studies of potent covalent inhibitors on wild type or T790M/L858R mutant epidermal growth factor receptor
Z Yang, H Yang, Y Ai, L Zhang, Z Li, S Wan… - European Journal of …, 2020 - Elsevier
In this paper, we designed and synthesized two analog compounds M1 and T1 that have a
Michael acceptor warhead. Although only slightly diversity existed in the structures of M1 …
Michael acceptor warhead. Although only slightly diversity existed in the structures of M1 …
Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on epidermal growth factor receptor (EGFR)
EGFR is the cell-surface receptor. Its overexpression or overactivity has been associated
with a number of cancers, including breast, lung, ovarian, and anal cancers. Many …
with a number of cancers, including breast, lung, ovarian, and anal cancers. Many …
Design of new quinazoline derivative as EGFR (epidermal growth factor receptor) inhibitor through molecular docking and dynamics simulation
Erlotinib, Afatinib, and WZ4002 are quinazoline derivative compounds and classified as first,
second, and third-generation EGFR inhibitor. All inhibitors have been given directly to …
second, and third-generation EGFR inhibitor. All inhibitors have been given directly to …
Influence of rutin, sinapic acid, and naringenin on binding of tyrosine kinase inhibitor erlotinib to bovine serum albumin using analytical techniques along with …
Flavonoid-containing food supplements are widely used as antioxidants, and the continuous
use of these supplements with other drugs can lead to clinically significant interactions …
use of these supplements with other drugs can lead to clinically significant interactions …
[HTML][HTML] Bovine serum albumin binding study to erlotinib using surface plasmon resonance and molecular docking methods
P Taghipour, M Zakariazadeh, M Sharifi… - … of Photochemistry and …, 2018 - Elsevier
Bovine serum albumin (BSA) is the most abundant protein in the blood circulation and it is
commonly used for drug delivery in blood. Therefore, we aim to study BSA interaction with …
commonly used for drug delivery in blood. Therefore, we aim to study BSA interaction with …
Molecular modeling, docking, dynamics and simulation of gefitinib and its derivatives with EGFR in non-small cell lung cancer
PS Reddy, KB Lokhande, S Nagar… - … computer-aided drug …, 2018 - ingentaconnect.com
Background: Gefitinib (lressa) is the most prescribed drug, highly effective to treat nonsmall
cell lung cancer; primarily it was considered that targeted therapy is a kinase inhibitor. The …
cell lung cancer; primarily it was considered that targeted therapy is a kinase inhibitor. The …
In silico evaluation of the resistance of the T790M variant of epidermal growth factor receptor kinase to cancer drug Erlotinib
Epidermal growth factor receptor kinase is implicated in cancer development due to either
overexpression or activation variants in its functional intracellular kinase domain. Threonine …
overexpression or activation variants in its functional intracellular kinase domain. Threonine …
Binding Thermodynamics of Fourth-Generation EGFR Inhibitors Revealed by Absolute Binding Free Energy Calculations
H Zhou, H Fu, X Shao, W Cai - Journal of Chemical Information …, 2023 - ACS Publications
The overexpression or mutation of the kinase domain of the epidermal growth factor receptor
(EGFR) is strongly associated with non-small-cell lung cancer (NSCLC). EGFR tyrosine …
(EGFR) is strongly associated with non-small-cell lung cancer (NSCLC). EGFR tyrosine …