Antitumor Activity of Some Novel 1,2,5-Thiadiazole Derivatives

Some novel thiourea,1,2,4-triazole, quinazoline, thieno[2,3-d]pyrimi-dine, and thiazolidine derivatives were synthesized to evaluate their antitumor activity. Compound (3f) is nearly as active as reference drug, (Doxorubicin) as positive control.     

Activity Coefficient and Excess Gibbs Free Energies of Propargyl Alcohol with Trichloroethylene

Abstract

Isobaric vapour-liquid equilibrium data are measured at 200, 500 and 707 mm Hg at ten compositions spread evenly over the entire liquid mole fraction range, employing a Swietoslawski type ebulliometer. The liquid phase composition vs. bubble temperature (x-t) data are found to be well represented by Wilson model The optimum Wilson parameters are used to calculate the vapour phase compositions, activity coefficients and the excess Gibbs free energies.     

Synthesis and molecular docking of some new bis-thiadiazoles as anti-hypertensive α-blocking agents

Abstract

Twelve bis-thiadiazole derivatives were synthesized in high yield via the reaction of 2,2′-terephthaloyl bis(N-phenylhydrazine carbothioamide) with a variety of hydrazonoyl chlorides in ethanol containing catalytic amounts of TEA. All the newly synthesized compounds were characterized by physical and chemical tools (FT-IR, ¹H NMR, ¹³C NMR, and Mass spectrometry). Moreover, all the novel synthesized derivatives were screened for their antihypertensive α-blocking efficacy against to assess their pharmaceutical significance. The encouraging promising results obtained from antihypertensive α-blocking activity studies on the newly synthesized derivatives make the synthesis of a new series of these compounds and studying of their pharmaceutical importance an active area for more and more investigations. The molecular docking of the most active derivative 15?b against the human dopamine D3 receptor was performed by the Molecular Operating Environment (MOE 2014. 0901) program.     

A 2D Co(II) coordination polymer based on 1,3,5-tris(1H-imidazol-1-yl)benzene: photocatalytic properties and theoretical analysis

Abstract

A new 2D Co(II) based coordination polymer (CP), {[Co₂(tib)₂(NO₃)₃(H₂O)₂·NO₃]_n (1), has been synthesized using 1,3,5-tris(1-imidazolyl)benzene (tib) ligand. The single crystal X-ray diffraction study indicates that 1 possesses an infinite 2D layer, which is further extended into a 3D supramolecular network via O–H···O hydrogen bonding interactions. Additionally, the thermogravimetric analysis (TGA) of CP indicates its decomposition temperature was about 268?°C. The UV/Vis diffuse-reflection spectrum of 1 indicates its semiconducting nature on the basis of which the photocatalytic properties of 1 against photodecomposition of organic dyes have been studied. The possible mechanism associated with the photocatalytic activity of 1 against organic dyes is addressed using density of states (DOS) calculations.     

Some MnIII-porphyrins with de-polymerization activity toward humic acid

Four Mn^III-porphyrin complexes, chloro(tetraphenylporphinato)Mn^III(1,6-diaminohexane), bromo(tetraphenylporphinato)Mn^III(1,6-diaminohexane), azido(tetraphenylporphinato)Mn^III(1,6-diaminohexane), and thiocyanato(tetraphenylporphinato)Mn^III(1,6-diaminohexane), have been synthesized. These complexes have been characterized using UV-Vis, IR, ESI-mass spectra, elemental analyses, magnetic susceptibility measurements, and conductivity measurement. The molar conductance values of these complexes in ethanol indicate non-electrolytes. The utility of these complexes in de-polymerization of coal using humic acid as the coal model has been tested by the optical density method.     

Ligational behavior of new mononucleating NOO ethyl pyruvate Schiff base towards 3d metal(II) ions: an emphasis on antiproliferative and photocleavage property

A series of Co(II), Ni(II), Cu(II), and Zn(II) complexes of a tridentate hydrazone were prepared and characterized by various spectro‐analytical techniques and magnetic moment studies. The complexes were found to be monomeric and non‐electrolytes. The copper complex is electrochemically active in the applied potential range. The compounds synthesized in the present study have shown promising antiproliferative activity when screened using the in vitro method against two human cancer cell lines: HeLa and HepG2. The Escherichia coli DNA‐binding properties of all the compounds were investigated with UV–visible absorption spectrophotometric titrations, viscosity measurements, DNA melting experiments and gel electrophoreses measurements. The compounds were demonstrated to act as DNA intercalators with appreciable DNA‐binding constant values. Copyright © 2012 John Wiley & Sons, Ltd.     

Biological evaluation of novel selenazole‐based compounds as potential thioredoxin reductase inhibitors

Recently, thioredoxin reductase as a target for treatment of tumors has attracted the attention of scientists. 1,2‐[Bis(1,2‐benzisoselenazolone‐3(2 H)‐ketone)]ethane (ethaselen, BBSKE, PCT: CN02/00412), designed and synthesized previously, is an effective thioredoxin reductase inhibitor; presently it is in phase II clinical trials, targeting gastric cancer, lung cancer and colon cancer. To seek more novel and effective anticancer drugs, we have developed many selenazole‐based compounds. Evaluation of the thioredoxin reductase inhibitory effect and investigation of the mechanism of anticancer drugs require abundant thioredoxin reductase, but since commercial thioredoxin reductase is expensive its use is often limited. Therefore, the preparation of thioredoxin reductase is necessary. Base on the above investigation, in this work we have prepared thioredoxin reductase and evaluated selenazole‐based compounds, and found that 44 compounds have high inhibitory effect on thioredoxin reductase with IC₅₀ < 10 µ m , of which 16 compounds have IC₅₀ values below 1 µ m . This is helpful in investigating and elucidating the mechanism of this kind of compound. Copyright © 2012 John Wiley & Sons, Ltd.     

Ultrasound-assisted extraction of functional compound from mulberry (Morus alba L.) leaf using response surface methodology and effect of microencapsulation by spray drying on quality of optimized extract

This study aimed to optimize the ultrasound-assisted extraction (UAE) condition of mulberry leaf extract (MLE) using response surface methodology and to microencapsulate MLE by spray drying using different coating materials and ratios of coating material and MLE. The extraction results showed that MLE from condition of 60 °C (X₁, temperature), 30 min (X₂, time) and 60% v/v (X₃, ethanol concentration) exhibited the highest bioactive compound and antioxidant activity (DPPH and FRAP assay). Based on this optimal condition, MLE was further encapsulated by spray drying. It was found that MLE encapsulated with resistant maltodextrin at ratio of MLE and resistant maltodextrin 1:1 (w/w) showed the highest encapsulation yield (%) and encapsulation efficiency (%). Water solubility, moisture content and water activity were non-significant (p > 0.05) among the microcapsules. The scanning electron microscope (SEM) revealed that the types of coating material affected their microstructures and microcapsules prepared by resistant maltodextrin as coating material had a spherical shape, smooth surface and less shrinkage than microcapsules prepared by maltodextrin and gum arabic which had rough surfaces. The highest antioxidant activity was obtained from microcapsule prepared by gum arabic at ratio of MLE and gam arabic 1:2 (w/w). In conclusion, optimal condition from UAE and encapsulation by spray drying suggest the critical potential for production of functional food with improved bioactive compound stability and maximized antioxidant activity.     

Antioxidant and anti-inflammatory polyphenols in ultrasound-assisted extracts from salvilla (Buddleja scordioides Kunth)

Salvilla is a widely distributed plant used in treatments against gastrointestinal disorders due to its phenolic antioxidant and anti-inflammatory potential. Major yield and quality of bioactive polyphenols must be obtained with no degradation during suitable processes such as Ultrasound-Assisted Extraction (UAE), which allows an efficient extraction of metabolites at appropriate parameter conditions. Salvilla extractions were made using UAE and aqueous ethanolic solutions. Variables used in UAE were sonication time, wave amplitude and percentage of ethanol in solvent. Extracts were tested for total flavonoids, antioxidant activity (ABTS, FRAP and ORAC) and an identification and quantification of phenolic compounds was carried out by UPLC-PDA-ESI-MS/MS. Once elected the better extraction conditions, an anti-inflammatory test was performed for this treatment. As a result, total flavonoids content in extracts was 147 to 288 µg catechin equivalents/mg of dry salvilla extract. All extracts have shown good antioxidant activity (86 to 280 mM Trolox eq/mg dry salvilla extract). Flavonoids contents by chromatography were higher than hydroxybenzoic and hydroxycinnamic acids specially the flavone, flavanol and flavanone groups. Treatment T6 (75% ethanol, 30% amplitude and 10 min extraction time) was the best extract in terms of significant flavonols, antioxidant activity, and higher anti-inflammatory potential.