Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics. [PDF]
J Chem Inf ModelCoricello A +5 more
europepmc +1 more source
Cancer Immunotherapy via Disruption of Integrin αvβ3 and CD47 Costabilization on Cancer Cell Surface
Advanced Science, EarlyView.This study identifies a cancer‐specific interaction between CD47 and integrin αvβ3 that facilitates immune evasion. A rationally designed peptide, PSFL‐NK13, disrupts this axis, enhancing macrophage‐mediated phagocytosis and suppressing tumor growth without inducing anemia.
Peng‐Cheng Yu +12 more
wiley +1 more source
Targeted nanoliposomal nutrient delivery for human health. [PDF]
World J Gastrointest Pharmacol TherMercola J.
europepmc +1 more source
Advanced Science, EarlyView.This study uncovers a new allosteric site in the Josephin domain of ataxin‐3 targeted by the molecular tweezer CLR01, which modulates protein aggregation, improves synaptic function in neuronal cells, and delays motor dysfunction in animal models.
Alexandra Silva +28 more
wiley +1 more source
Binding of Soluble Ligands to Membrane Receptors: A Molecular Dynamics Simulation Study. [PDF]
J Phys Chem BHou R +5 more
europepmc +1 more source
An analytical model for determining two-dimensional receptor-ligand kinetics. [PDF]
Biophys J, 2011 Cheung LS, Konstantopoulos K.
europepmc +1 more source
The Added Value of Assessing Ligand–Receptor Binding Kinetics in Drug Discovery
, 2016 Dong Guo +2 more
openalex +1 more source
Advanced Science, EarlyView.This study demonstrates that bisphenol analogues, particularly BPAF, bind to progesterone receptor, promoting breast cancer cell proliferation, migration, and mammary tumor growth, indicating that bisphenol A substitutes may pose equal or greater health risks.
Xiaotong Ji +8 more
wiley +1 more source
Decoding the structural and functional diversity of GABA<sub>A</sub> receptors: from ensemble logic to therapeutic opportunities. [PDF]
Front PharmacolTreviño M +7 more
europepmc +1 more source
Discovery of a Potent and Selective TEAD Degrader with Durable Degradation Activity
Advanced Science, EarlyView.KG‐FP‐003, a highly potent TEAD‐YAP PROTAC derived from the patented inhibitor is developed. It selectively degrades endogenous TEAD proteins in HiBiT systems without IMiD‐related off‐target effects. Screening across 867 cancer cell lines revealed broad and superior anti‐tumor activity, highlighting its therapeutic potential through targeted TEAD ...
Linhui Cao +25 more
wiley +1 more source