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 …
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 …
Discovery of novel epidermal growth factor receptor (EGFR) inhibitors using computational approaches
D Huo, S Wang, Y Kong, Z Qin… - Journal of Chemical …, 2021 - ACS Publications
The epidermal growth factor receptor (EGFR) signaling pathway plays an important role in
cell growth, proliferation, differentiation, and other physiological processes, which makes the …
cell growth, proliferation, differentiation, and other physiological processes, which makes the …
Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors
QSAR modelling on Thirty (34) novel quinazoline derivatives (EGFR WT inhibitors) as non-
small cell lung cancer (NSCLC) agents was performed to develop a model with good …
small cell lung cancer (NSCLC) agents was performed to develop a model with good …
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 …
[PDF][PDF] Virtual screening for identification of novel potent EGFR inhibitors through AutoDock Vina molecular modeling software
Cancer is a malignant disease and causing the high rate of mortality and morbidity. Current
strategies for the treatment include chemotherapy, radiation therapy and surgery. There are …
strategies for the treatment include chemotherapy, radiation therapy and surgery. There are …
[HTML][HTML] Pharmakinetics studies, molecular docking and discovery of anti-proliferative agents and its targeting EGFR inhibitors
P Prakash, G Archana, E Gayathiri, V Mani… - Journal of King Saud …, 2022 - Elsevier
Objective Abutilon indicum is a medicinal plant belonging to the Malvaceae family. The
current study has been developed to detect Abutilon indicum bio-activity to produce an …
current study has been developed to detect Abutilon indicum bio-activity to produce an …
Molecular docking, MM/GBSA and 3D-QSAR studies on EGFR inhibitors
R Bathini, SK Sivan, S Fatima, V Manga - Journal of Chemical sciences, 2016 - Springer
Epidermal growth factor receptor (EGFR) is the first growth factor receptor proposed as a
target for cancer therapy. Molecular modeling protocols like molecular docking, molecular …
target for cancer therapy. Molecular modeling protocols like molecular docking, molecular …
Molecular docking and dynamics studies of 4-anilino quinazolines for epidermal growth factor receptor tyrosine kinase to find potent inhibitor
SK Muthuvel, E Elumalai, GK, HK - Journal of Receptors and …, 2018 - Taylor & Francis
A series of novel 4-anilino quinazoline derivatives were taken based on the literature study
and optimized with Autodock version 4.2 and molecular dynamics (MD) protocol to …
and optimized with Autodock version 4.2 and molecular dynamics (MD) protocol to …
[HTML][HTML] Synthesis, Molecular Dynamics Simulation, and In-vitro Antitumor Activity of Quinazoline-2, 4, 6-triamine Derivatives as Novel EGFR Tyrosine Kinase …
MN Ahmadabadi, E Rezaee, M Nematpour… - Iranian Journal of …, 2022 - ncbi.nlm.nih.gov
Objectives The study focused on developing novel series of compounds based on the
inhibition of epidermal growth factor receptor tyrosine kinase (EGFR-TK) as one of the most …
inhibition of epidermal growth factor receptor tyrosine kinase (EGFR-TK) as one of the most …