Through virtual screening, we identified the lead compound MCL1020, which exhibited modest CHK1 inhibitory activity. Then a series of 5-(pyrimidin-2-ylamino)picolinonitrile derivatives as CHK1 inhibitors were discovered by further rational optimization. One promising molecule, (R)-17, whose pote...
The use of nitroreductases (NTR) that catalyze the reduction of nitro compounds by using NAD(P)H in GDEPT (Gene-directed enzyme prodrug therapy) studies which minimize toxicity at healthy cells and increases concentration of drugs at cancer cells is remarkable. Discovery of new prodrug/NTR combi...
We report a novel type of fluorescent product derived from the reaction of the lysine residue with malondialdehyde (MDA). When the lysine-containing peptide (N-acetyl-glycyl-l-lysine methyl ester) was treated with MDA prepared by the acid hydrolysis of 1,1,3,3-tetramethoxypropane, the main fluor...
Honey bees allocate tasks along reproductive and non-reproductive lines: the queen mates and lays eggs, whereas the workers nurse the brood and forage for food. Among workers, tasks are distributed according to age: young workers nurse and old workers fly out and forage. This task distribution i...
In this work, new experimental values for the isobaric molar heat capacities of ethyl heptanoate and ethyl cinnamate are presented at temperatures ranging from (305 to 387) K and under pressures up to 16.3 MPa. The relative expanded uncertainty of the isobaric molar heat capacity is estimated to...
An experimental study on the isobaric molar heat capacities of ethyl nonanoate and ethyl dodecanoate was performed at temperatures between 303 K and 393 K and at pressures between 0.1 MPa and 25.2 MPa. An increase of isobaric molar heat capacity with temperature increase was observed, and temper...
GPR40 has become a new potential therapeutic target for the treatment of diabetes due to its role in mediating the enhancement of glucose-stimulated insulin secretion in pancreatic β cells with a low risk of hypoglycemia. As an effort to extend the chemical space and identify structurally disti...
An efficient and transition metal-free approach for the synthesis of functionalized 3-ketoquinolines from readily available anilines, enaminones and DMSO in the presence of K2S2O8 has been conducted. This one pot tandem reaction proceeds through [3+2+1] cycloaddition reaction involving DMSO, ena...
Novel yellow azo dyes were synthesized by diazotization of aromatic amines followed by coupling with 2-morpholin-4-yl-1,3-thiazol-4(5H)-one and fully characterized. The geometries of the synthesized dyes for azo and hydrazone tautomeric forms were optimized using B3LYP, CAM-B3LYP and M06 functio...
The present article describes the synthesis, in vitro urease inhibition and in silico molecular docking studies of a novel series of bi-heterocyclic bi-amides. The synthesis of title compounds was initiated by benzoylation, with benzoyl chloride (1), of the key starter ethyl 2-(2-amino-1,3-thiaz...
Publisher SummaryThis chapter discusses the five-membered ring systems with N and S (Se) atoms. The reaction of zirconium metallacycles is used to produce a variety of main group heterocycles through the metallacycle transfer of a carbon fragment. The scope and potential of this reaction for the...
Publisher SummaryThis chapter describes the syntheses and reactions of the 5-membered heterocyclic ring systems containing nitrogen and sulfur (or selenium). The Hantzsch reaction is used in the production of thiazoles. This reaction generates one equivalent (equiv.) of hydrogen bromide that can...
Three series of novel 2-benzylthio-4-chloro-5-R1-benzenesulfonamides bearing the N-(benzoxazol-2-yl) (10–19), N-(benzothiazol-2-yl) (20–21) or N-(1,3-dihydro-2H-benzimidazol-2-ylidene) (22–25) moiety were synthesized by reacting N-(2-benzylthio-4-chloro-5-R1-benzenesulfonyl)cyanamide potassiu...
Free and glycosidically bound volatiles of purees from Andean blackberry (Rubus Glaucus Benth.) fruit were determined. Free volatile compounds were extracted by two techniques: solvent extraction and Solid-Phase Micro-Extraction (SPME). The glycosidically bound volatiles were isolated using Soli...
A Solid-Phase Microextraction method for the Gas Chromatography–Mass Spectrometry analysis of blackberry (Rubus sp.) volatiles has been fully optimized by means of a Box–Behnken experimental design. The optimized operating conditions (Carboxen/Polydimethylsiloxane fiber coating, 66 °C, 20 min...
The aim of the investigation was to assess and compare the environmental limits for growth cessation and floral initiation in a range of new and established biennial-fruiting red raspberry (Rubus idaeus L.) cultivars of diverse origin under phytotron and field conditions. The results confirmed t...
An in vitro platform to perform peptide screening against different cancer cell lines was designed. The strategy for this screening relied on the design and detection of high-affinity cancer-targeting peptides based on the sequences of NGR and P160. Evaluation of the best binding peptides was pe...
The synthesis and biological evaluation of 6,7-bis(hydroxymethyl)-1H,3H-pyrrolo[1,2-c]thiazoles as anticancer agents against MCF7 breast cancer cell lines is reported. The design of the new compounds has been guided considering (3R)-6,7-bis(hydroxymethyl)-5-methyl-3-phenyl-1H,3H-pyrrolo[1,2-c]th...
The serine hydrolase fatty acid amide hydrolase (FAAH) catalyzes the degradation of the endocannabinoid anandamide, which possesses analgesic and anti-inflammatory effects. A new series of 1-heteroarylpropan-2-ones was synthesized and evaluated for FAAH inhibition. Structure-activity relationshi...
A highly regioselective one-pot synthesis of 2,3-disubstituted-2H-1-benzopyrans has been developed through Brønsted acid catalyzed [4+2] cycloaddition reaction with a variety of arylalkynes via ortho-quinone methides. A catalytic amount of trifluoromethanesulfonic acid effectively promotes the [...