Results 191 to 200 of about 19,010 (265)

Synthesis, Anticancer Evaluation, mRNA Expression Analysis, and Molecular Docking of Fluorinated Picolinamide–Benzothiazole Derivatives Against Breast Cancer‐Related Genes CDK2, ERK2, and BCL2

open access: yesJournal of Biochemical and Molecular Toxicology, Volume 40, Issue 9, September 2026.
The graphical abstract summarizes the synthesis of novel benzothiazole‐linked derivatives and their biological evaluation. The compounds exhibited significant antioxidant activity, notable cytotoxic effects against MDA‐MB‐231 cells, apoptosis induction with G2/M arrest, gene regulation, and favorable molecular docking interactions, supporting their ...
Nagalakshmamma Vadabingi   +7 more
wiley   +1 more source

Soluble protein analog selection engine (SPASE): An automated AI‐powered server to improve protein engineering workflows

open access: yesProtein Science, Volume 35, Issue 9, September 2026.
Abstract The design of proteins with desired biophysical properties, such as high solubility and low aggregation propensity, is crucial for various biotechnological and biomedical applications. While deep learning‐based methods like ProteinMPNN have shown remarkable success in protein sequence design, their direct output may not always exhibit optimal ...
Sacha T. Larda   +2 more
wiley   +1 more source

Investigating enzyme function by geometric matching of catalytic motifs

open access: yesProtein Science, Volume 35, Issue 9, September 2026.
Abstract The rapidly growing universe of predicted protein structures offers opportunities for data driven exploration but requires computationally scalable and interpretable tools. We developed a method to detect catalytic features in protein structures, providing insights into enzyme function and mechanism.
Raymund E. Hackett   +5 more
wiley   +1 more source

A cryptic allosteric pocket shapes isoform‐selective inhibition of human malic enzymes

open access: yesProtein Science, Volume 35, Issue 9, September 2026.
Abstract Malic enzymes (ME) regulate central carbon metabolism and cellular redox balance, and the mitochondrial isoform ME2 is frequently upregulated in aggressive cancers to support metabolic flexibility and stress resistance. Isoform‐selective inhibition has remained out of reach because the catalytic machinery is essentially invariant across the ...
Ben A. Krinkel   +14 more
wiley   +1 more source

Donor‐induced conformational gating and substrate‐assisted catalysis in α‐1,3‐galactosyltransferase

open access: yesProtein Science, Volume 35, Issue 9, September 2026.
Abstract Retaining glycosyltransferases catalyze the formation of stereochemically conserved glycosidic bonds through mechanisms that remain debated. Using bovine α1,3‐galactosyltransferase (α3GalT) as a model, we combine mutagenesis, equilibrium unfolding, kinetics, and molecular dynamics simulations to understand how donor‐induced loop ordering ...
Javier A. Linares‐Pastén   +1 more
wiley   +1 more source

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