Results 161 to 170 of about 37,458 (256)

In Silico Structure‐Guided Design of Peptide Candidates Targeting γ‐Secretase Subunit Assembly

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The γ‐secretase complex is a membrane‐embedded protease essential for intramembrane cleavage of substrates such as Notch receptors and the amyloid precursor protein (APP), processes central to cancer progression and Alzheimer's disease (AD) pathology.
Selcen Arı Yuka, Kübra Telli, Alper Yılmaz   +2 more
wiley   +1 more source

Structural Insights Into the Function of Leishmania major Adenylosuccinate Lyase

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT One of several intriguing aspects of kinetoplastid biochemistry is the complete dependence on host purines and purine recycling due to the lack of a de novo purine biosynthesis pathway. Adenylosuccinate lyase (ASL, EC 4.3.2.2) is a key enzyme in the purine synthesis pathway responsible for the conversion of adenylosuccinate into adenosine ...
Ivan R. e Silva, Monique Mantovani, Maria E. S. D. Lino, Aline O. Albuquerque, João H. M. da Silva, Ronaldo A. P. Nagem, Adriana L. Rojas, Geraldo R. Sartori, Eduardo Horjales, David Campbell, Otavio H. Thiemann   +10 more
wiley   +1 more source

Efficient Characterization of GPCRs Allosteric Modulation: Application to the Rational Design of De Novo S1PR1 Allosteric Modulators. [PDF]

J Chem Inf Model
Cruz A, Warshel A.
europepmc   +1 more source

The continuing significance of chiral agrochemicals

Pest Management Science, Volume 81, Issue 4, Page 1697-1716, April 2025.
In the time frame 2018–2023, around 43% of the 35 chiral agrochemicals introduced to the market (herbicides, fungicides, insecticides, acaricides, and nematicides) contain one or more stereogenic centers in the molecule, and almost 69% of them have been marketed as racemic mixtures of enantiomers or stereoisomers.
Peter Jeschke
wiley   +1 more source

Allosteric Modulation of Cannabinoid Type 1 Receptor by ZCZ011: Integration of In Vitro Pharmacology and Molecular Dynamics Simulation. [PDF]

ACS Bio Med Chem Au
Yadav TC, Swaminathan LI, Chirasani VR, Wu Z, Lu D, Ignatowska-Jankowska BM, Lichtman AH, Fitting S, Yadav-Samudrala BJ.   +8 more
europepmc   +1 more source

Peptide‐Ligand Cooperative Interplay Drives Gold Nanoparticle Encapsulation by Protein Cages

Small, EarlyView.
Gold nanoparticle encapsulation within protein cages is governed by salt‐dependent binding energetics and cooperative peptide–ligand interactions. Ligands enhance electrostatic attraction while peptides extend recruitment and prevent kinetic trapping, enabling robust cargo loading. This molecular‐level insight links experiments and simulations, guiding
Wenhui Li, Niklas Mucke, Michael Rütten, Tommaso L. Schweers, Tobias Beck, Vikram Jadhao   +5 more
wiley   +1 more source

Clove Essential Oil as an Antifungal Agent and Putative Dual-Action Antifungal Mechanism: Experimental Validation and Computational Insights into Orthosteric and Allosteric Modulation of Chitin Synthase I in <i>Penicillium</i> Species. [PDF]

Molecules
Castillo Y, Márquez Brazón EA, Peralta-Ruiz Y, Chaves-López C, Saurith-Coronell O, Grande-Tovar CD.   +5 more
europepmc   +1 more source

DNA‐Enzyme Hybrid Nanostructures: Functional Materials to Modulate Enzymatic Activity

Small, EarlyView.
DNA–enzyme hybrid nanostructures enable precise spatial and stoichiometric control over enzyme organization, offering a powerful platform to modulate catalytic activity. This review critically evaluates key mechanistic hypotheses, including proximity effects, microenvironment changes, confinement, and stabilization, as well as highlighting ...
Manar Elnaggar, Amelie Heuer‐Jungemann
wiley   +1 more source

Long-Range Allosteric Modulation of DNA Duplex Dynamics Induced by Pyrrole-Imidazole Polyamide Binding. [PDF]

J Phys Chem Lett
Kendall-Price SET, Nichol RJO, Taladriz-Sender A, Phelps R, Malakar P, Greetham GM, Burley GA, Hunt NT.   +7 more
europepmc   +1 more source

Assessing protein‐specific radiation damage in time‐resolved X‐ray solution‐scattering experiments at high‐brilliance synchrotrons using fast detector readout

Acta Crystallographica Section D, EarlyView.
Adenylate kinase was used to quantify how experimental parameters influence radiation damage during time‐resolved X‐ray solution scattering (TR‐XSS) at a multipurpose SAXS beamline. The study provides general guidelines for minimizing radiation artifacts in TR‐XSS.Time‐resolved X‐ray solution scattering (TR‐XSS) enables tracking of protein structural ...
Fatemeh Sabzian-Molaei, Tomás S. Plivelic, Magnus Andersson   +2 more
wiley   +1 more source