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5-Arylidene(chromenyl-methylene)-thiazolidinediones: Potential New Agents against Mutant Oncoproteins K-Ras, N-Ras and B-Raf in Colorectal Cancer and Melanoma
Background and objectives: Cancer represents the miscommunication between and within the body...
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis
Here, we report the data visualization, analysis and modeling for a large set of 4830 SN2 reactions...
Minimalist Approach to Design of ComplexityEnriched Bioactive Small Molecules: Discovery of Phenanthrenoid Mimics as Antiproliferative Agents
Over the last decades, much effort has been devoted to the design of the “ideal” library for...
Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/ HLA-A2 interactions
The binding of the adenovirus (Ad) protein E3-19K with the human leukocyte antigen (HLA) plays an...
Discovery of potent and selective inhibitors of the Escherichia coli M1- aminopeptidase via multicomponent solid-phase synthesis of tetrazole-peptidomimetics
The Escherichia coli neutral M1-aminopeptidase (ePepN) is a novel target identified for the...
Bar adsorptive microextraction (BAE) coated with mixed sorbent phases
The present work proposes the application of bar adsorptive microextraction coated with mixed...
Revealing dye and dye-drug aggregation into nano-entities using NMR
It is becoming increasingly apparent that small molecules can self-assemble into a wide-range of...
Internal Concentrations in Gammarids Reveal Increased Risk of Organic Micropollutants in Wastewater-Impacted Streams
Internal concentrations link external exposure to the potential effect, as they reflect what the...
Design, Synthesis, and Biological Evaluation of a New Series of Carvedilol Derivatives
Aminoglycosides (AGs) are broad-spectrum antibiotics used for the treatment of serious bacterial...
Structural Characterization of Agonist Binding to Protease- Activated Receptor 2 through Mutagenesis and Computational Modeling
Protease-activated receptor 2 (PAR2) is a G-protein-coupled receptor that is activated by...
In-silico profiling of the biological activities of Amaryllidaceae alkaloids
Objectives The large number of publications about Amaryllidaceae alkaloids reflects the abundance...
Conjugates of methylene blue with y-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases
We studied the inhibitory activity of methylene blue (MB) γ-carbolines (gC) conjugates (MB-gCs)...