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In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs
To discover new inhibitors against the human colon carcinoma HCT116 cell line, two quantitative...
Inhibitory effects of arylcoumarin derivatives on Bacteroides fragilis D-lactate dehydrogenase
Bacteroides fragilis is an anaerobic bacterium naturally hosted in the human colon flora. B....
Bitter and sweet tasting molecules: It's complicated
“Bitter” and “sweet” are frequently framed in opposition, both functionally and metaphorically, in...
2‐Phenylquinoline S. aureus NorA Efflux Pump Inhibitors: Evaluation of the Importance of Methoxy Group Introduction
Antimicrobial resistance (AMR) represents a hot topic in drug discovery. Besides the identification...
Metagenomic discovery of a novel transaminase for valorization of monoaromatic compounds
The profitability of next-generation biorefineries is acutely contingent on the discovery and...
Organoarsenicals in poultry litter: Detection, fate, and toxicity
Arsenic contamination in groundwater has endangered the health and safety of millions of people...
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy
The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the...
Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors
A series of 31 N,N-disubstituted 2-amino-5-halomethyl-2-thiazolines was designed, synthesized, and...
Screening of Pesticide and Biocide Patterns As Risk Drivers in Sediments of Major European River Mouths: Ubiquitous or River Basin-Specific Contamination?
Pesticides and biocides (PaB) are ubiquitously present in aquatic ecosystems due to their...
Purified NADH-cytochrome b5 reductase is a novel superoxide anion source inhibited by apocynin: sensitivity to nitric oxide and peroxynitrite
Cytochrome b5 reductase (Cb5R) is a pleiotropic flavoprotein that catalyzes multiple one-electron...
Site of metabolism prediction for oxidation reactions mediated by oxidoreductases based on chemical bond
MOTIVATION: The metabolites of exogenous and endogenous compounds play a pivotal role in the domain...
Far-Red and Near-Infrared Seminaphthofluorophores for Targeted Pancreatic Cancer Imaging
Molecular probes that selectively highlight pancreatic cancer (PC) tissue have the potential to...