Oleandrin, the major biologically active constituent of shrub Nerium oleander preparations of which have been used in traditional Mediterranean and Asian medicine, attracts a great deal of attention due to its pronounced anticancer activity. The synthesis of oleandrigenin model, 16β-hydroxy-3β...

New 3,20-dihydroxy-13α-19-norpregna-1,3,5(10)-trienes were synthesized. The effects of these compounds on breast cancer cells and ERα activation were investigated. The scaffold of compounds containing the six-membered ring D′ annulated at 16α,17α-positions was constructed via the Lewis acid...

New estrogen receptor α (ERα) antagonists – 3,20-dihydroxy-19-norpregna-1,3,5(10)-trienes containing an additional carbocyclic ring D′ at the 16α,17α positions – were synthesized. The effects of the new compounds on the MCF-7 breast cancer cells and ERα activation were investigated. All ...

This study focuses on the design, synthesis, molecular modeling and biological evaluation of a novel group of alkyl-1,3,5-triazinyl-methylpiperazines. New compounds were synthesized and their affinities for human histamine H4 receptor (hH4R) were evaluated. Among them, 4-(cyclohexylmethyl)-6-(4-...

This research has provided the most active 5-HT6R agents among 1,3,5-triazine derivatives investigated to date and has also identified the world's first selenium-containing 5-HT6R ligands. The studies are focused on design, synthesis, biological evaluation and docking-supported SAR analysis...

To shed more insight into the regioselectivities observed in the reactions between 3,5-diaminopyrazoles and N-acyl imidates or N-ethoxy imidate yielding the corresponding substituted pyrazolo[1,5-a]-[1,3,5] triazines or pyrazolo[1,5-a][1,3,5] triazinones, DFT calculations are carried out using B...

A new series of non-carboxylic naproxen analogues, bearing a variety of ring systems, such as oxadiazoles 3a–c and 6a–c, cycloalkanes 4a–d, cyclic imides 5a–c, and triazoles 7–9 and 10a–c, was synthesized. In addition, in vitro antitumor activity and cyclooxygenase isozymes (COX-1/COX-2) i...

Using microwell plates functionalized with surface hydrazide groups, we site-specifically immobilized antibodies to the surface of the wells. The procedure for site-specific, oriented immobilization of IgG to hydrazide surfaces is simple. It requires a brief, mild oxidation of the carbohydrate s...

A series of hydrazide–hydrazones, based on a series of 4-substituted benzoic acid, were synthesized, and their structures were elucidated and screened for the antituberculosis activity against Mycobacterium tuberculosis H37Rv with the help of the BACTEC 460 radiometric system. Compound 3, 4-flu...

Through exploration of the non-highly conserved allosteric hydrophobic pocket generated by DFG-out shifting in the inactive conformation, we discovered a highly selective type II PDGFRα kinase inhibitor 15i (CHMFL-PDGFRα-159), which exhibited strong potency against purified PDGFRα (IC50: 132 ...

The molecular associations between a model flavine and three substituted β-carbolines are calculated using a pair potential approach proposed by Fraga. Stacked minima found through a crossed search procedure are analized and some structural and energetic properties related to the saturation of ...

The hydride transfer process between the isoalloxazine moiety of flavins and the nicotinamide moiety of NAD(P)H has been explored by using density functional theory based reactivity index in the 1-methylnicotinamide–lumiflavine model system. Based on crystallographic data available, we have fou...

Macrophage polarization plays an important role in inflammation. Regulation of the polarization has been reported to be effective therapeutics for various kinds of inflammatory diseases. The aims of the present study were to investigate the anti-inflammatory property of isomeranzin isolating fro...

Separation in capillary electrophoresis is governed by various factors, including buffer type, buffer concentration, pH, temperature, voltage and micelles. Through proper adjustment of these parameters, nalidixic acid and its two major metabolites, 7-hydroxynalidixic and 7-carboxynalidixic, coul...

Twig and leaf extracts of the Peruvian plant Psidium acutangulum were shown to have antifungal properties against the fungi Rhizoctonia solani, Helminthosporium teres and Pythium ultimum. Chemical investigation of these extracts resulted in the isolation of the new compound, 3′-formyl-2′,4′,6...

In this study, a novel series of 6-aryl substituted 4-pyrrolidineaminoquinazoline derivatives were designed and evaluated as potent PI3Kδ inhibitors. The preliminary SAR was established, and compounds 12d, 20a and 20c displayed leading potent PI3Kδ inhibition, with IC50 values of 4.5, 2.7 and ...

In the present study, a series of substituted 1,3,4-thiadiazole derivatives 4(a–o), 5(a–m) and 6(a–j) were synthesized and characterized by IR, 1H NMR, 13C NMR and mass spectroscopic technique. The synthesized compounds were evaluated for their in vitro anti-mycobacterial activity against the...

Oxidative cyclization of 1-(pyridin-2-yl)guanidine derivatives using N-chlorosuccinimide and aqueous potassium carbonate has been investigated. Chlorination of 1-(5-nitropyridin-2-yl)guanidine by N-chlorosuccinimide in methanol followed by addition of aqueous potassium carbonate gave rise to cyc...

Publisher SummaryThis chapter focuses on the cation transport probes that is it describes the various the amiloride series. Several recent studies have used radiolabeled amiloride analogs to identify and characterize binding sites of amiloride analogs in plasma membranes or microsomal membranes ...

To elucidate the structure-geometry-activity relationship in diarylpyrimidine family (DAPYs) containing carbonyl linker between the central pyrimidine core and phenyl type B-arm, a series of (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones was designed, prepared and tested for their...