Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries

M Kuljanin, DC Mitchell, DK Schweppe… - Nature …, 2021 - nature.com
Current methods used for measuring amino acid side-chain reactivity lack the throughput
needed to screen large chemical libraries for interactions across the proteome. Here we …

Targeting Breast Cancer: The Familiar, the Emerging, and the Uncharted Territories

H Montazeri Aliabadi, A Manda, R Sidgal, C Chung - Biomolecules, 2023 - mdpi.com
Breast cancer became the most diagnosed cancer in the world in 2020. Chemotherapy is
still the leading clinical strategy in breast cancer treatment, followed by hormone therapy …

Covalent proximity scanning of a distal cysteine to target PI3Kα

C Borsari, E Keles, JA McPhail… - Journal of the …, 2022 - ACS Publications
Covalent protein kinase inhibitors exploit currently noncatalytic cysteines in the adenosine
5′-triphosphate (ATP)-binding site via electrophiles directly appended to a reversible …

[HTML][HTML] Structural insights into redox-active cysteine residues of the Src family kinases

DE Heppner - Redox Biology, 2021 - Elsevier
Abstract The Src Family Kinases (SFKs) are pivotal regulators of cellular signal transduction
and highly sought-after targets in drug discovery. Their actions within cells are controlled by …

Elucidation of Pharmacological Mechanism Underlying the Anti-Alzheimer's Disease Effects of Evodia rutaecarpa and Discovery of Novel Lead Molecules: An In …

L Zhang, J Xu, J Guo, Y Wang, Q Wang - Molecules, 2023 - mdpi.com
Alzheimer's disease (AD) is a brain disease with a peculiarity of multiformity and an
insidious onset. Multiple-target drugs, especially Chinese traditional medicine, have …

A back-door insight into the modulation of Src kinase activity by the polyamine spermidine

S Rossini, M Gargaro, G Scalisi, E Bianconi… - Elife, 2023 - elifesciences.org
Src is a protein tyrosine kinase commonly activated downstream of transmembrane
receptors and plays key roles in cell growth, migration, and survival signaling pathways. In …

Kinetic mechanisms of covalent inhibition

C McWhirter - Annual reports in medicinal chemistry, 2021 - Elsevier
The recent clinical and commercial success of covalent drugs has prompted a renewed
interest in covalent inhibitors as therapeutic agents. With this has come an increased …

Validation of an allosteric binding site of Src kinase identified by unbiased ligand binding simulations

VR Mingione, ZH Foda, YT Paung, H Philipose… - Journal of molecular …, 2022 - Elsevier
Allostery plays a primary role in regulating protein activity, making it an important
mechanism in human disease and drug discovery. Identifying allosteric regulatory sites to …

Synthesis and biological activity evaluation of 3-(hetero) arylideneindolin-2-ones as potential c-Src inhibitors

S Princiotto, L Musso, F Manetti… - Journal of Enzyme …, 2022 - Taylor & Francis
Inhibition of c-Src is considered one of the most studied approaches to cancer treatment,
with several heterocyclic compounds approved during the last 15 years as …

Combining network pharmacology with molecular docking for mechanistic research on thyroid dysfunction caused by polybrominated diphenyl ethers and their …

Q He, X Chen, J Liu, C Li, H Xing… - BioMed Research …, 2021 - Wiley Online Library
Network pharmacology was used to illuminate the targets and pathways of polybrominated
diphenyl ethers (PBDEs) causing thyroid dysfunction. A protein‐protein interaction (PPI) …