Structural Insight into the Working Mechanism of the FAD Synthetase from the Human Pathogen Streptococcus pneumoniae: A Molecular Docking Simulation Study. [PDF]
Kwon S.
europepmc +1 more source
A ZIF‐90 nanocarrier delivers dinotefuran and suppresses NlABCG3 and NlABCH1 in resistant Nilaparvata lugens. This system combines pH/ATP‐triggered release with enhanced foliar retention, improving efficacy while sparing honeybees and promoting rice growth, offering a promising resistance‐breaking strategy.
Chengshuai He +9 more
wiley +1 more source
Corrigendum to "Tanshinone-I for the treatment of uterine fibroids: Molecular docking, simulation, and density functional theory investigations" [Saudi Pharm. J. 31(6) (2023) 1061-1067]. [PDF]
Tiwari A +12 more
europepmc +1 more source
During renal fibrosis, SMAD3 acts as a transcription factor for CRLF1, promoting its expression and secretion. CRLF1 then binds to ITGB1 via an autocrine mechanism, activating the PI3K‐AKT signaling pathway to mediate renal fibrosis. This accelerates the progression from AKI to CKD, highlighting the therapeutic potential of targeting CRLF1 for ...
Chunjie Wang +8 more
wiley +1 more source
Computational Analyses of Protein-Ligand Interactions [PDF]
Protein-ligand interactions have a central role in all processes in living systems. A comprehensive understanding of protein interactions with small molecules is of great interest as it provides opportunities for understanding protein function and ...
Haider, Kamran
core +1 more source
New Organotin (IV) Compounds Derived from Dehydroacetic Acid and Thiosemicarbazides: Synthesis, Rational Design, Cytotoxic Evaluation, and Molecular Docking Simulation. [PDF]
Gómez E +11 more
europepmc +1 more source
The promoted Escherichia coli‐assisted continuous evolution (PEACE) system operates through a stringent three step genetic circuit: target gene mutation via a deaminase–T7 RNA polymerase (T7 RNAP) fusion, coupling variant function to antitoxin expression, and growth based selection of surviving cells.
Xinyu Zhang +10 more
wiley +1 more source
Combining Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation, and Experimental Validation to Uncover the Efficacy and Mechanisms of Si-Miao-Yong-An Decoction in Diabetic Wound Healing [PDF]
Shujuan Zhang,1,* Yiming Shao,2,* Ranran Jin,2 Baodong Ma2 1Department of Laboratory Medicine, Zhengzhou Central Hospital Affiliated to Zhengzhou University, Zhengzhou, People’s Republic of China; 2Center of Stem Cell and Regenerative Medicine ...
Ma B, Shao Y, Jin R, Zhang S
core
Metal Chelates of Sulfafurazole Azo Dye Derivative: Synthesis, Structure Affirmation, Antimicrobial, Antitumor, DNA Binding, and Molecular Docking Simulation. [PDF]
El-Ghamry HA +4 more
europepmc +1 more source
Rhoifolin directly targets NMNAT1, thereby activating nicotinamide salvage pathway and promoting intracellular NAD+ biosynthesis. Elevated NAD+ levels enhance SIRT1 activity, leading to FOXO1 deacetylation and nuclear translocation. Nuclear FOXO1 subsequently binds to the IL‐22 promoter, upregulating IL‐22 transcription and potentiating ILC3 effector ...
Hongqiong Yang +12 more
wiley +1 more source

