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Combined Ligand and Fragment-based Drug Design of Selective Histone Deacetylase – 6 Inhibitors
Histone deacetylase 6 (HDAC6) is unique hydrolase within HDAC family, having pleiotropic...
Site-Specific In Vivo Bioorthogonal Ligation via Chemical Modulation
A critical limitation of bioorthogonal click chemistry for in vivo applications has been its low...
Fourfold Filtered Statistical/Computational Approach for the Identification of Imidazole Compounds as HO-1 Inhibitors from Natural Products
Over-regulation of Heme oxygenase 1 (HO-1) has been recently identified in many types of human...
Computational exploration of molecular receptive fields in the olfactory bulb reveals a glomerulus-centric chemical map
Progress in olfaction is currently hampered by incomplete knowledge about chemical receptive ranges...
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...
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...
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...
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...