Challenges and opportunities in cancer drug resistance
RA Ward, S Fawell, N Floc'h, V Flemington… - Chemical …, 2020 - ACS Publications
There has been huge progress in the discovery of targeted cancer therapies in recent years.
However, even for the most successful and impactful cancer drugs which have been …
However, even for the most successful and impactful cancer drugs which have been …
Emerging strategies to overcome resistance to third-generation EGFR inhibitors
K Shi, G Wang, J Pei, J Zhang, J Wang… - Journal of Hematology & …, 2022 - Springer
Epidermal growth factor receptor (EGFR), the receptor for members of the epidermal growth
factor family, regulates cell proliferation and signal transduction; moreover, EGFR is related …
factor family, regulates cell proliferation and signal transduction; moreover, EGFR is related …
Poziotinib for EGFR exon 20-mutant NSCLC: Clinical efficacy, resistance mechanisms, and impact of insertion location on drug sensitivity
We report a phase II study of 50 advanced non-small cell lung cancer (NSCLC) patients with
point mutations or insertions in EGFR exon 20 treated with poziotinib (NCT03066206). The …
point mutations or insertions in EGFR exon 20 treated with poziotinib (NCT03066206). The …
EGFR mutation mediates resistance to EGFR tyrosine kinase inhibitors in NSCLC: From molecular mechanisms to clinical research
RF Dong, ML Zhu, MM Liu, YT Xu, LL Yuan… - Pharmacological …, 2021 - Elsevier
With the development of precision medicine, molecular targeted therapy has been widely
used in the field of cancer, especially in non-small-cell lung cancer (NSCLC). Epidermal …
used in the field of cancer, especially in non-small-cell lung cancer (NSCLC). Epidermal …
Acquired resistance to third-generation EGFR-TKIs and emerging next-generation EGFR inhibitors
The discovery that mutations in the EGFR gene are detected in up to 50% of lung
adenocarcinoma patients, along with the development of highly efficacious epidermal …
adenocarcinoma patients, along with the development of highly efficacious epidermal …
Mechanism of inhibition of SARS-CoV-2 M pro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical …
The SARS-CoV-2 main protease (Mpro) is essential for replication of the virus responsible
for the COVID-19 pandemic, and one of the main targets for drug design. Here, we simulate …
for the COVID-19 pandemic, and one of the main targets for drug design. Here, we simulate …
The next tier of EGFR resistance mutations in lung cancer
HL Tumbrink, A Heimsoeth, ML Sos - Oncogene, 2021 - nature.com
EGFR mutations account for the majority of druggable targets in lung adenocarcinoma. Over
the past decades the optimization of EGFR inhibitors revolutionized the treatment options for …
the past decades the optimization of EGFR inhibitors revolutionized the treatment options for …
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
Biomolecular simulation is increasingly central to understanding and designing biological
molecules and their interactions. Detailed, physics‐based simulation methods are …
molecules and their interactions. Detailed, physics‐based simulation methods are …
Mutant‐selective allosteric EGFR degraders are effective against a broad range of drug‐resistant mutations
Targeting epidermal growth factor receptor (EGFR) through an allosteric mechanism
provides a potential therapeutic strategy to overcome drug‐resistant EGFR mutations that …
provides a potential therapeutic strategy to overcome drug‐resistant EGFR mutations that …
Drug design in the exascale era: a perspective from massively parallel QM/MM simulations
B Raghavan, M Paulikat, K Ahmad… - Journal of chemical …, 2023 - ACS Publications
The initial phases of drug discovery–in silico drug design–could benefit from first principle
Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics (MD) simulations …
Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics (MD) simulations …