[HTML][HTML] Docking small molecules to predicted off-targets of the cancer drug erlotinib leads to inhibitors of lung cancer cell proliferation with suitable in vitro …
L Li, J Li, M Khanna, I Jo, JP Baird… - ACS medicinal …, 2010 - ncbi.nlm.nih.gov
In an effort to develop a rational approach to identify anti-cancer agents with selective
polypharmacology, we mine millions of docked protein-ligand complexes involving more …
polypharmacology, we mine millions of docked protein-ligand complexes involving more …
Docking to erlotinib off-targets leads to inhibitors of lung cancer cell proliferation with suitable in vitro pharmacokinetics
L Li, J Li, M Khanna, I Jo, JP Baird… - ACS Medicinal …, 2010 - ACS Publications
In an effort to develop a rational approach to identify anticancer agents with selective
polypharmacology, we mined millions of docked protein− ligand complexes involving more …
polypharmacology, we mined millions of docked protein− ligand complexes involving more …
In silico identification of novel erlotinib analogues against epidermal growth factor receptor
IA Sheikh, HMA Hassan - Anticancer research, 2016 - ar.iiarjournals.org
Cancer is one of the major health challenges in modern times. Considering its high mortality
rate, many proteins that are linked to cancer have been targeted for therapy, with one of …
rate, many proteins that are linked to cancer have been targeted for therapy, with one of …
Exploring a structural protein–drug interactome for new therapeutics in lung cancer
X Peng, F Wang, L Li, K Bum-Erdene, D Xu… - Molecular …, 2014 - pubs.rsc.org
The pharmacology of drugs is often defined by more than one protein target. This property
can be exploited to use approved drugs to uncover new targets and signaling pathways in …
can be exploited to use approved drugs to uncover new targets and signaling pathways in …
Computational evaluation and in vitro validation of new epidermal growth factor receptor inhibitors
S Gómez-Ganau, J Castillo, A Cervantes… - Current Topics in …, 2020 - ingentaconnect.com
Background: The Epidermal Growth Factor Receptor (EGFR) is a transmembrane protein
that acts as a receptor of extracellular protein ligands of the epidermal growth factor …
that acts as a receptor of extracellular protein ligands of the epidermal growth factor …
Epidermal growth factor receptor (EGFR) structure‐based bioactive pharmacophore models for identifying next‐generation inhibitors against clinically relevant EGFR …
Present work elucidates identification of next generation inhibitors for clinically relevant
mutations of epidermal growth factor receptor (EGFR) using structure‐based bioactive …
mutations of epidermal growth factor receptor (EGFR) using structure‐based bioactive …
Quantitative Chemical Proteomics Profiling Differentiates Erlotinib from Gefitinib in EGFR Wild-Type Non–Small Cell Lung Carcinoma Cell Lines
A Augustin, J Lamerz, H Meistermann, S Golling… - Molecular cancer …, 2013 - AACR
Although both erlotinib and gefitinib target the EGF receptor (EGFR), erlotinib is effective in
patients with EGFR wild-type or mutated tumors, whereas gefitinib is only beneficial for …
patients with EGFR wild-type or mutated tumors, whereas gefitinib is only beneficial for …
Utilising the EGFR interactome to identify mechanisms of drug resistance in non-small cell lung cancer–Proof of concept towards a systems pharmacology approach
H Saafan, S Foerster, ZP Parra-Guillen… - European journal of …, 2016 - Elsevier
Drug treatment of epidermal growth factor receptor (EGFR) positive non-small cell lung
cancer has improved substantially by targeting activating mutations within the receptor …
cancer has improved substantially by targeting activating mutations within the receptor …
Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA
VK Sharma, PP Nandekar, A Sangamwar… - RSC …, 2016 - pubs.rsc.org
Epidermal growth factor receptor (EGFR) is an important validated drug target for cancer
therapy. Some therapeutic agents targeting EGFR have been developed, however these are …
therapy. Some therapeutic agents targeting EGFR have been developed, however these are …
Identification of EGFR inhibitors as potential agents for cancer therapy: pharmacophore-based modeling, molecular docking, and molecular dynamics investigations
MA Ashiru, SO Ogunyemi, OR Temionu… - Journal of Molecular …, 2023 - Springer
Context As a member of a large family of proteins that together regulate various aspects of
cell growth and development, the epidermal growth factor receptor (EGFR) is a validated …
cell growth and development, the epidermal growth factor receptor (EGFR) is a validated …
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