AIMC Topic: Cysteine

Clear Filters Showing 1 to 10 of 28 articles

Artificial neural network optimized green synthesis of cysteine-conjugated silver nanoparticles for antibacterial activity against staphylococcus nepalensis to combat cystitis.

Antonie van Leeuwenhoek
The emergence of multidrug-resistant pathogens has increased the urgency for alternative treatment options for infections like cystitis. This study focused on the green synthesis of silver nanoparticles and cysteine-conjugated silver nanoparticles ut...

Cysteine pattern barcoding-based dataset filtration enhances the machine learning-assisted interpretation of Conus venom peptide therapeutics.

PloS one
Crude cone snail venom is a rich source of bioactive compounds with significant therapeutic potential. In this study, we conducted a comprehensive analysis of 5,985 cone snail peptides across 82 Conus species to identify unique cysteine (Cys) pattern...

The Highly Conserved Cys95 Residue of Fructose-1,6-Bisphosphatase 1 Mediates the pH-Driven Structure and Activity of the Enzyme and Photosynthesis.

Plant, cell & environment
In Arabidopsis, exposure to microbial volatile compounds promotes thiol reduction of the Cys95 residue of the photosynthetic enzyme fructose-1,6-bisphosphatase (cFBP1). Although highly conserved in plants, the Cys95 function still remains unknown. We...

Intestinal permeability of N-acetylcysteine is driven by gut microbiota-dependent cysteine palmitoylation.

Nature communications
Trillions of intestinal microbiota are essential to the permeability of orally administered drugs. However, identifying microbial-drug interactions remains challenging due to the highly variable composition of intestinal flora among individuals. Usin...

CovCysPredictor: Predicting Selective Covalently Modifiable Cysteines Using Protein Structure and Interpretable Machine Learning.

Journal of chemical information and modeling
Targeted covalent inhibition is a powerful therapeutic modality in the drug discoverer's toolbox. Recent advances in covalent drug discovery, in particular, targeting cysteines, have led to significant breakthroughs for traditionally challenging targ...

Machine Learning-Assisted Liquid Crystal Optical Sensor Array Using Cysteine-Functionalized Silver Nanotriangles for Pathogen Detection in Food and Water.

ACS applied materials & interfaces
The challenge of rapid identification of bacteria in food and water still persists as a major health problem. To tackle this matter, we have developed a single-probe liquid crystal (LC)-based optical sensing platform for the differentiation of five c...

Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.

Journal of computer-aided molecular design
Covalent inhibition offers many advantages over non-covalent inhibition, but covalent warhead reactivity must be carefully balanced to maintain potency while avoiding unwanted side effects. While warhead reactivities are commonly measured with assays...

CysPresso: a classification model utilizing deep learning protein representations to predict recombinant expression of cysteine-dense peptides.

BMC bioinformatics
BACKGROUND: Cysteine-dense peptides (CDPs) are an attractive pharmaceutical scaffold that display extreme biochemical properties, low immunogenicity, and the ability to bind targets with high affinity and selectivity. While many CDPs have potential a...

CoO/CoFeO Hollow Nanocube Multifunctional Nanozyme with Oxygen Vacancies for Deep-Learning-Assisted Smartphone Biosensing and Organic Pollutant Degradation.

ACS applied materials & interfaces
Although the application of nanozymes has been widely studied, it is still a huge challenge to develop highly active and multifunctional nanozyme catalysts with a wider application prospect. CoO/CoFeO hollow nanocubes (HNCs) with oxygen vacancies wer...

Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen.

European journal of medicinal chemistry
SARS-CoV-2 3CL protease is one of the key targets for drug development against COVID-19. Most known SARS-CoV-2 3CL protease inhibitors act by covalently binding to the active site cysteine. Yet, computational screens against this enzyme were mainly f...