Results 201 to 210 of about 19,010 (265)

x‐Ray Structure of Streptomyces avermitilis Phospholipase D Reveals a Ca2+‐Stabilized Expanded Active‐Site Cleft Adapted for Phospholipid Binding

open access: yesProteins: Structure, Function, and Bioinformatics, Volume 94, Issue 9, Page 1543-1550, September 2026.
ABSTRACT Phospholipase D (PLD) catalyzes the hydrolysis of phospholipids to generate phosphatidic acid and free head groups such as choline. Among bacterial PLD enzymes, Streptomyces chromofuscus PLD (SchPLD), a member of the alkaline phosphatase D (PhoD) superfamily, exhibits unique Ca2+‐dependent phospholipase activity.
Yoshiaki Yasutake   +6 more
wiley   +1 more source

Spin Dynamics of Radical Pairs Using the Stochastic Schrödinger Equation in MolSpin. [PDF]

open access: yesJ Chem Theory Comput
Pažėra GJ   +4 more
europepmc   +1 more source

PCK2 Inhibition Reverses Cisplatin Resistance of Non‐Small Cell Lung Cancer by Triggering Ferroptosis

open access: yesThe FASEB Journal, Volume 40, Issue 16, 31 August 2026.
Metabolic enzyme PCK2 is aberrantly upregulated in cisplatin‐resistant NSCLC cells, which inhibits ferroptosis and ultimately facilitates tumor chemoresistance. The small‐molecule inhibitor RGB‐286638 directly binds to the key R454 functional site of PCK2 protein, efficiently inhibits PCK2 expression, and rescues PCK2‐mediated ferroptosis suppression ...
Jing Liu   +14 more
wiley   +1 more source

Simple Harmonic Motion Analysis of Elastic Structures Using Hamiltonian Simulation via Quantum Singular Value Transformation

open access: yesInternational Journal for Numerical Methods in Engineering, Volume 127, Issue 16, 30 August 2026.
ABSTRACT This study proposes a quantum computing algorithm for dynamic structural analysis, assuming the use of quantum computers. Specifically, we apply a quantum algorithm known as Hamiltonian Simulation (HS), which calculates the time evolution of the Schrödinger equation with time‐independent coefficients, to the equations of motion governing the ...
Koya Wagatsuma   +2 more
wiley   +1 more source

Iso‐ and Benzisothiazolinone Inhibitors of Monoacylglycerol Lipase: Exploring On‐Target Activity Through Scaffold Decoration and In Situ Warhead Generation

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
We explore covalent allosteric targeting of MGL regulatory cysteines using iso‐ and benzisothiazolinone scaffolds. Combining mechanism‐based warhead release with structure‐guided scaffold decoration to improve molecular recognition, this study probes strategies to achieve selective on‐target engagement beyond the catalytic site. Monoacylglycerol lipase
Edoardo Rocca   +12 more
wiley   +1 more source

From Fragments to Function: Novel Hydrazone Derivatives as Monoamine Oxidase Inhibitors

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
Twelve N‐acylhydrazone derivatives (5a–f, 6a–f) were synthesized and characterized. Compounds displayed potent submicromolar inhibition against both MAO‐A and MAO‐B. Compound 6e exhibited the strongest activity (IC50 = 0.073 μM for MAO‐A; 0.064 μM for MAO‐B). Kinetic and docking analyses confirmed reversible, competitive inhibition via FAD interaction.
Hasan Erdinç Sellitepe   +5 more
wiley   +1 more source

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