Design of new quinazoline derivative as EGFR (Epidermal growth factor receptor) inhibitor through molecular docking and dynamics simulation

H Rasyid, B Purwono, HD Pranowo - Indonesian Journal of …, 2021 - journal.ugm.ac.id
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 …

Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on epidermal growth factor receptor (EGFR)

QH Liao, QZ Gao, J Wei, KC Chou - Medicinal Chemistry, 2011 - ingentaconnect.com
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 …

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 …

Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors

MT Ibrahim, A Uzairu, S Uba, GA Shallangwa - Heliyon, 2020 - cell.com
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 …

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 …

[PDF][PDF] Virtual screening for identification of novel potent EGFR inhibitors through AutoDock Vina molecular modeling software

S Chaurasiya, P Kaur, SK Nayak, GL Khatik - J Chem Pharm Res, 2016 - researchgate.net
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 …

[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 …

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 …

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 …

[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 …