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Optimization of a 1,3,4-oxadiazole series for inhibition of Ca2þ/ calmodulin-stimulated activity of adenylyl cyclases 1 and 8 for the treatment of chronic pain
Adenylyl cyclases type 1 (AC1) and 8 (AC8) are group 1 transmembrane adenylyl cyclases (AC) that...
Working with chemical patents and Markush structures
Markush structures are widely used in combinatorial chemistry and patents to define large chemical...
Identification of a selective inhibitor of human monocarboxylate transporter 4
The human monocarboxylate transporters (hMCTs/SLC16As) mediate the uptake of various...
PSMA-targeted contrast agents for intraoperative imaging of prostate cancer
Prostate-specific membrane antigen (PSMA) can serve as a molecular cell surface target for the...
Deep metabolome annotation and the necessity of a thought experiment
The metabolome of an organism consists in the totality of the small molecules present in this...
Use of dual-filtering to create training sets leading to improved accuracy in quantitative structure-retention relationships modelling for hydrophilic interaction liquid chromatographic systems
The development of quantitative structure retention relationships (QSRR) having sufficient accuracy...
Designing High-Refractive Index Polymers Using Materials Informatics
A machine learning strategy is presented for the rapid discovery of new polymeric materials...
Indolizine-Based Scaffolds as Efficient and Versatile Tools: Application to the Synthesis of Biotin-Tagged Antiangiogenic Drugs
We describe the design and optimization of polyfunctional scaffolds based on a fluorescent...
Rapid membrane permeabilization of Listeria monocytogenes and Escherichia coli induced by antibacterial prenylated phenolic compounds from legumes
Prenylated phenolics from the Fabaceae are promising lead compounds for new antibacterials. Pools...
Small Molecule Efflux Pump Inhibitors in Mycobacterium tuberculosis: A Rational Drug Design Perspective
Drug resistance in Mycobacterium tuberculosis (M. tuberculosis) complicates management of...
Microwave-assisted diastereoselective two-step three-component synthesis for rapid access to drug-like libraries of substituted 3-amino-b-lactams
Large, diverse compound libraries are an essential requisite in target-based drug development. In...
Synthesis by Click Reactions and Antiplasmodial Activity of Lupeol 1,2,3-Triazole Derivatives
Lupeol, a triterpene frequently found in Asteraceae plant species, showed moderate to low activity...