Results 221 to 230 of about 692,160 (279)

Sickle Cell Disease: Historical Overview and Current Therapies

Prenatal Diagnosis, EarlyView.
ABSTRACT Sickle cell disease (SCD) affects millions worldwide, yet the limited treatment options currently available do not always adequately control the disease and carry significant side effects. At present, the only curative treatment is hematopoietic stem cell (HSC) transplantation, a procedure that carries considerable challenges and numerous ...
Oluwaseun O. Babatunde, Madeleine G. Bibby, Anthony Atala, Graça Almeida‐Porada, Christopher D. Porada   +4 more
wiley   +1 more source

Sodium Ions Affect GPR17 Conformational States and Functionality

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Sodium is an allosteric modulator of several class‐A GPCR regulating active versus inactive conformation state and may be a critical issue for the optimization of crystallization procedures. Herein, the role of Na+ in the regulation of GPR17 conformational states was studied through MD simulations of GPR17 wild‐type and mutated on two ...
Luca Palazzolo, Simona Daniele, Davide Bianchi, Lara Russo, Stefano Capaldi, Maria Letizia Trincavelli, Ivano Eberini   +6 more
wiley   +1 more source

Identification of putative allosteric inhibitors of BCKDK via virtual screening and biological evaluation. [PDF]

J Enzyme Inhib Med Chem
Li C, Yang Q, Zhang L.
europepmc   +1 more source

Structural and Biochemical Characterization of the Diaminopimelate Epimerase DapF From Pseudomonas aeruginosa PA14

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The emergence of antibiotic resistance in bacteria is a major threat to global public health. To combat increasingly drug‐resistant bacteria like Pseudomonas aeruginosa, new targets for pharmaceuticals need to be explored. One such potential target for P.
Philipp Schneider, Claudia Hanko, Konrad Büssow, Stefan Schmelz, Wulf Blankenfeldt   +4 more
wiley   +1 more source

Design and synthesis of (<i>E</i>)-3-benzylideneindolin-2-one derivatives as potential allosteric inhibitors of Aurora A kinase. [PDF]

RSC Med Chem
Jiao Y, Zhong J, Xu J, Ning S, Liang T, Zhao M, Zhang J.   +6 more
europepmc   +1 more source

Distinct Conformational Switches Control WPD‐Loop Dynamics Across Protein Tyrosine Phosphatase Subfamilies

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Protein Tyrosine Phosphatases (PTPs) regulate cellular signaling by balancing phosphotyrosine levels through a conserved WPD‐loop that switches between open (inactive) and closed (active) conformations. While this conformational change is crucial for catalysis, the structural factors governing this motion remain poorly understood.
Colin L. Welsh, Lalima K. Madan
wiley   +1 more source

Structure-Based Discovery of Allosteric Inhibitors Targeting a New Druggable Site in the Respiratory Syncytial Virus Polymerase. [PDF]

ACS Omega
Oraby AK, Bilawchuk L, West FG, Marchant DJ.   +3 more
europepmc   +1 more source

The Histidine 382 Residue Influences the Thermal Stability and Binding Propensity of the E2 Domain of Amyloid Precursor Protein

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The E2 domain of amyloid precursor protein (APP_E2) plays a central role in the protein's function. We reinvestigate how the missense mutation, ΔH382L, affects the domain's thermal stability and ligand binding propensity through differential scanning fluorometry.
Sphamandla Ndlovu, Candice Ngubane, Zamaxasibe Nxele, Raymond Hewer, Alexandré Delport   +4 more
wiley   +1 more source

Temporal Hydrogen‐Bond Network Analysis Reveals Substrate‐Directed Connectivity in Dihydrofolate Reductase

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Hydrogen‐bond networks are central to protein function, but most network analyses rely on static representations that neglect how interactions evolve in time. Here, we introduce a framework that combines instantaneous and temporal graph analysis of hydrogen‐bond networks derived from molecular dynamics (MD) trajectories to quantify ligand ...
Tandac F. Guclu, Canan Atilgan, Ali Rana Atilgan   +2 more
wiley   +1 more source

Evolution of the SARS‐CoV‐2 Main Protease Under Fitness Constraints Imposed by Folding Stability and Activity

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) continues to evolve and diversify, leading to the emergence of immune‐evasive variants and underscoring the need for complementary antiviral strategies targeting conserved viral machinery. In this context, the main protease (Mpro) represents a potential therapeutic target because
David Ferreiro, Miguel Arenas
wiley   +1 more source