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A Structure- and Ligand-Based Virtual Screening of a Database of “Small” Marine Natural Products for the Identification of “Blue” Sigma-2 Receptor Ligands
Sigma receptors are a fascinating receptor protein class whose ligands are actually under clinical...
Low-basicity 5-HT7 Receptor Agonists Synthesized Using the van Leusen Multicomponent Protocol
A series of 5-aryl-1-alkylimidazole derivatives was synthesized using the van Leusen multicomponent...
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...
EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals
Endocrine disrupting chemicals (EDCs) are a group of compounds that affect the endocrine system,...
Highly Potent, Stable, and Selective Dimeric Hetarylpropylguanidine-Type Histamine H2 Receptor Agonists
On the basis of the long-known prototypic pharmacophore 3-(1H-imidazol-4-yl)propylguanidine (SK&F...
A comparison of equilibrium and kinetic passive sampling for monitoring of aquatic organic contaminants in German rivers
The performances of an equilibrium and a kinetic passive sampler for monitoring a range of organic...
Neo-Chlorogenic Acid: Conformational and Molecular Analysis by Semi-Empirical Methods
This paper shows results regarding semiempiric results for neochlorogenic acid, from geometrical...
The flexible cytoplasmic loop 3 contributes to the substrate affinity of human monocarboxylate transporters
Human monocarboxylate transporters (hMCTs/SLC16As) mediate the transport of small molecular weight...
Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses
Glycomics has become an increasingly important field of research since glycans play critical roles...