Membrane Docking Geometry and Target Lipid Stoichiometry of Membrane-Bound PKCα C2 Domain: A Combined Molecular Dynamics and Experimental Study [PDF]
Chun-Liang Lai+3 more
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The long non‐coding RNA (lncRNA) CD2BP2‐DT is upregulated in breast cancer and correlates with poor patient prognosis. Mechanistically, CD2BP2‐DT drives YBX1 phase separation to stabilize CDK1 and promote breast cancer progression. Moreover, NAT10‐mediated N4‐acetylcytosine (ac4C) modification further enhances CD2BP2‐DT expression.
Hongyu Wang+9 more
wiley +1 more source
Synthesis of thiazoloquinolinone derivatives: molecular docking, MD simulation, and pharmacological evaluation as VEGFR-2 inhibitors. [PDF]
Amiri Z, Bayat M, Gheidari D.
europepmc +1 more source
Interaction of CTX-M-15 enzyme with cefotaxime: a molecular modelling and docking study [PDF]
Shazi Shakil, Asad U. Khan
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Paclitaxel/Luteolin Coloaded Dual‐Functional Liposomes for Esophageal Cancer Therapy
The authors develop a pH‐sensitive aptamer‐modified liposome (EA2‐PSL‐PTX/LUT) to illustrate a strategy for the precise delivery of combinational chemotherapeutic drugs for esophageal squamous cell carcinoma (ESCC) targeted therapy. EA2‐PSL‐PTX/LUT provides efficient co‐loading, tumor targeting, and controlled release of luteolin and paclitaxel ...
Congyong Sun+9 more
wiley +1 more source
Dapagliflozin in Chronic Kidney Disease: Insights from Network Pharmacology and Molecular Docking Simulation. [PDF]
Phongphithakchai A+7 more
europepmc +1 more source
Computational model of hepatitis B virus DNA polymerase: Molecular dynamics and docking to understand resistant mutations [PDF]
Pankaj Daga+2 more
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Ca2+/calmodulin‐dependent kinase II (CaMKII) activation is likely driven by oxidative stress, particularly excessive reactive oxygen species (ROS) production. This study identifies P21‐activated kinase 2 (Pak2) as a novel regulator of ROS‐induced CaMKII activation and abnormal Ca2⁺ dynamics in acute adrenergic and chronic pressure‐overload stressed ...
Tao Li+21 more
wiley +1 more source
Molecular Docking of Endolysins for Studying Peptidoglycan Binding Mechanism. [PDF]
Arakelian AG, Chuev GN, Mamedov TV.
europepmc +1 more source
Pharmacophore Elucidation and Molecular Docking Studies on 5-Phenyl-1-(3-pyridyl)-1H-1,2,4-triazole-3-carboxylic Acid Derivatives as COX-2 Inhibitors [PDF]
Marc Lindner
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