Binding site locations and interaction of the isolated middle loop of snake neurotoxin I with muscle type nicotinic acetylcholine receptor: molecular dynamics and docking simulation study [PDF]
, 2007 Adak Nasiripourdori +2 more
openalex +1 more source
Blockade of ZMIZ1‐GATA4 Axis Regulation Restores Youthfulness to Aged Cartilage
Advanced Science, Volume 12, Issue 16, April 24, 2025.The blockade of ZMIZ1‐GATA axis can be an effective therapeutic approach for treating OA. Functional inhibition of the ZMIZ1‐GATA axis through K‐7174 has the effect of suppressing cartilage damage and cellular senescence at the chondrocyte and cartilage tissue levels.
Jiho Nam +8 more
wiley +1 more source
Molecular Docking of Porphyrins with Cationic Limbs on Intramolecular G-quadruplex [PDF]
, 2007 Y. Ishikawa +2 more
openalex +1 more source
FUS Selectively Facilitates circRNAs Packing into Small Extracellular Vesicles within Hypoxia Neuron
Advanced Science, EarlyView.This study aimed to unravel the role of FUS in the loading of functional circRNAs into neuronal sEVs under hypoxic conditions, which involves their aggregations in SGs and specific interaction between the FUS Zf_RanBP domain to regulate circRNA sorting in sEVs.
Jiankun Zang +14 more
wiley +1 more source
Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction [PDF]
arXivIn recent years, machine learning (ML) methods have emerged as promising alternatives for molecular docking, offering the potential for high accuracy without incurring prohibitive computational costs. However, recent studies have indicated that these ML models may overfit to quantitative metrics while neglecting the physical constraints inherent in the
arxiv
Molecular docking analysis of the protein–protein interaction between RelA‐associated inhibitor and tumor suppressor protein p53 and its inhibitory effect on p53 action [PDF]
, 2008 Keisuke Tomoda +7 more
openalex +1 more source
A practical guide to molecular docking and homology modelling for medicinal chemists [PDF]
, 2017 Levonis, Stephan M +3 more
core +1 more source
Advanced Science, Volume 12, Issue 13, April 3, 2025.T‐cell immunotherapy eliminates cancer growth by activating T cells, but immunosuppressive factors hinders their effectiveness, resulting in treatment failure. Here, ribonuclease 1 (RNase1) causes T‐cell dysfunction and promotes exhausted T‐cell signatures in cancers.
Wen‐Hao Yang +13 more
wiley +1 more source
Fast and Accurate Blind Flexible Docking [PDF]
arXivMolecular docking that predicts the bound structures of small molecules (ligands) to their protein targets, plays a vital role in drug discovery. However, existing docking methods often face limitations: they either overlook crucial structural changes by assuming protein rigidity or suffer from low computational efficiency due to their reliance on ...
arxiv
Kinetic Characterization and Molecular Docking of a Novel, Potent, and Selective Slow-Binding Inhibitor of Human Cathepsin L [PDF]
, 2008 Parag P. Shah +11 more
openalex +1 more source