Total phenolic contents and antioxidant activities of various solvent extracts from whole wheat and bran

AbstractTwo wheat varieties grown in Upper and Delta Egypt were compared for their total phenolic content and antioxidant activities. Three solvent systems have been used to prepare the antioxidant extracts from whole wheat and its bran fraction. The three solvent systems included 50% acetone (v/v), 70% methanol (v/v) and 70% ethanol (v/v). Antioxidant activities were tested using DPPH radical scavenging activity and total flavonoid content. The results showed that the extraction solvents and wheat varieties significantly altered the total phenolics and antioxidant activity of whole wheat and bran, and 50% acetone is a recommended solvent for extracting phenolic compounds from the tested wheat and bran. Also data indicated that the bran fraction was rich in total phenolic content and high power for radical scavenging activity than whole wheat. These results showed that wheat bran could be considered as a potential source of antioxidant agent. Therefore, durum wheat variety (Beni-suef-3) showed high level of total phenol contact and antioxidant properties in bran fraction than common wheat variety (Gemiza-9). So, whole meal wheat products maximize health benefits and strongly recommended for use in food processing

Synthesis, characterization and antimicrobial activities of some 5-bromouracilmetal ion complexes

Six new complexes, [Mn(Br-U)2(H2O)2]×4H2O (1), [Cd(Br-U)2]×2H2O (2), [Cu(Br-U)2(H2O)2]×2H2O (3), [Co(Br-U)2(H2O)2]×4H2O (4), [Ni(Br-U)2(H2O)2]×4H2O (5) and [Ag(Br-U)(Br-U-H)]×2(H2O) (6)  were prepared by the reaction of 5-bromoouracil with MnCl2·4H2O, CdCl2·2.5H2O, CuSO4·5H2O, (CH3COO)2Co·4H2O, (CH3COO)2Ni·4H2O and AgNO3 respectively. The complexes were characterized by melting point, elemental microanalyses, IR and 1H NMR spectroscopy. The obtained data indicated that the ligand interacted with the metal ions in its mononegatively charged enol form in a bidentate fashion. Thermogravimetric analyses (TGA and DTG) were also carried out. The data obtained agreed well the proposed structures and showed that the complexes were finally decomposed to the corresponding metal or metal oxide. The ligand and its metal-ion complexes were tested for their antimicrobial activities against four bacterial strains (B. subtillis, S. aureus, E. coli and P. aeruginosa) by the agar-well diffusion technique using DMSO as a solvent. The obtained data showed that the complexes were more potent antimicrobial agents than the parent ligand.               KEY WORDS: 5-Bromoouracil–M2+ complexes, IR, Thermal analyses, 1H NMR, Antimicrobial activity Bull. Chem. Soc. Ethiop. 2019, 33(2), 255-268.DOI: https://dx.doi.org/10.4314/bcse.v33i2.

Pulping of <i>Casuarina glauca </i>with ASAM - An Environmental Friendly Process

799-806ASAM pulping process has been experimented on Casuarina glauca. The pulping parameters such as methanol concentration, cooking time, chemical charge, and alkali ratio, affecting the chemical and physical properties of the pulp are determined .. For ASAM I cooks, NaOH is the supporting alkali, while in ASAM II pulping, Na2CO3 is the supporting alkali. The best ASAM I pulping is achieved at 22.5 and 25 per cent chemical charge with 0.7 and 0.8 alkali ratio while the best ASAM II pulping is achieved at 27.5 per cent chemical charge and 0.6 alkali ratio. When both the pure alkalies were used, some changes in the pulp properties were observed by varying the ratio of NaOH: Na2CO3. Pulp- and papermaking properties of Casuarina cooked by the ASAM process are observed to be superior to Casuarina pulp obtained by the kraft process

Apport des réseaux de neurones dans la scattérométrie dynamique

National audienc

Synthesis, DFT calculations, and anti-proliferative evaluation of pyrimidine and selenadiazolopyrimidine derivatives as dual Topoisomerase II and HSP90 inhibitors

AbstractNovel series of aminopyrimidines bearing a biologically active cyclohexenone 3a–f and oxo-selaneylidene moiety 4, besides selenadiazolopyrimidines (5a–e and 7), were synthesised using 5,6-diaminouracils as starting materials. Compound 3a exhibited strong anti-proliferative activity against three cell lines: HepG-2 (IC50 14.31 ± 0.83 µM), A-549 (IC50 30.74 ± 0.76 µM), and MCF-7 (IC50 27.14 ± 1.91 µM). Also, it was four times more selectively cytotoxic against WI-38 cell lines than doxorubicin. Furthermore, Topoisomerase II (IC50 4.48 ± 0.65 µM) and HSP90 (IC50 1.78 ± 0.11 µM) were both strongly inhibited in vitro by 3a. The cell cycle was halted at the G1-S phase, and total apoptotic cells were 65 times more than control Hep-G2 cells. Besides, it increased caspase-3 gene expression, triggering mitochondrial cell death. Molecular docking study indicated that it could bind to Topoisomerase II and HSP90 binding sites in an inhibitory mode. Its geometric properties were investigated using the density functional theory (DFT). Furthermore, compound 3a demonstrated in silico good oral bioavailability

Novel Aminopyrimidine-2,4-diones, 2-Thiopyrimidine-4-ones, and 6-Arylpteridines as Dual-Target Inhibitors of BRD4/PLK1: Design, Synthesis, Cytotoxicity, and Computational Studies

Structural-based drug design and solvent-free synthesis were combined to obtain three novel series of 5-arylethylidene-aminopyrimidine-2,4-diones (4, 5a–c, 6a,b), 5-arylethylidene-amino-2-thiopyrimidine-4-ones (7,8), and 6-arylpteridines (9,10) as dual BRD4 and PLK1 inhibitors. MTT assays of synthesized compounds against breast (MDA-MB-231), colorectal (HT-29), and renal (U-937) cancer cells showed excellent-to-good cytotoxic activity, compared to Methotrexate; MDA-MB-231 were the most sensitive cancer cells. The most active compounds were tested against normal Vero cells. Compounds 4 and 7 significantly inhibited BRD4 and PLK1, with IC50 values of 0.029, 0.042 µM, and 0.094, 0.02 µM, respectively, which are nearly comparable to volasertib (IC50 = 0.017 and 0.025 µM). Compound 7 triggered apoptosis and halted cell growth at the G2/M phase, similarly to volasertib. It also upregulated the BAX and caspase-3 markers while downregulating the Bcl-2 gene. Finally, active compounds fitted the volasertib binding site at BRD4 and PLK1 and showed ideal drug-like properties and pharmacokinetics, making them promising anticancer candidates

Novel pyrimidine Schiff bases and their selenium-containing nanoparticles as dual inhibitors of CDK1 and tubulin polymerase: design, synthesis, anti-proliferative evaluation, and molecular modelling

AbstractNanotechnology-based strategies can overcome the limitations of conventional cancer therapies. Hence, novel series of pyrimidine Schiff bases (4–9) were employed in the synthesis of selenium nanoparticle forms (4NPs–9NPs). All selenium nano-sized forms exerted greater inhibitions than normal-sized compounds, far exceeding 5-fluorouracil activity. Compound 4 showed effective anti-proliferative activity against MCF-7(IC50 3.14 ± 0.04 µM), HepG-2(IC50 1.07 ± 0.03 µM), and A549(IC50 1.53 ± 0.01 µM) cell lines, while its selenium nanoform 4NPs showed excellent inhibitory effects, with efficacy increased by 96.52%, 96.45%, and 93.86%, respectively. Additionally, 4NPs outperformed 4 in selectivity against the Vero cell line by 4.5-fold. Furthermore, 4NPs exhibited strong inhibition of CDK1(IC50 0.47 ± 0.3 µM) and tubulin polymerase(IC50 0.61 ± 0.04 µM), outperforming 4 and being comparable to roscovitine (IC50 0.27 ± 0.03 µM) and combretastatin-A4(IC50 0.25 ± 0.01 µM), respectively. Moreover, both 4 and 4NPs arrested the cell cycle at G0/G1 phase and significantly forced the cells towards apoptosis. Molecular docking demonstrated that 4 and 4NPs were able to inhibit CDK1 and tubulin polymerase binding sites

Uracil as a Zn-Binding Bioisostere of the Allergic Benzenesulfonamide in the Design of Quinoline&ndash;Uracil Hybrids as Anticancer Carbonic Anhydrase Inhibitors

A series of quinoline&ndash;uracil hybrids (10a&ndash;l) has been rationalized and synthesized. The inhibitory activity against hCA isoforms I, II, IX, and XII was explored. Compounds 10a&ndash;l demonstrated powerful inhibitory activity against all tested hCA isoforms. Compound 10h displayed the best selectivity profile with good activity. Compound 10d displayed the best activity profile with minimal selectivity. Compound 10l emerged as the best congener considering both activity (IC50 = 140 and 190 nM for hCA IX and hCA XII, respectively) and selectivity (S.I. = 13.20 and 9.75 for II/IX, and II/XII, respectively). The most active hybrids were assayed for antiproliferative and pro-apoptotic activities against MCF-7 and A549. In silico studies, molecular docking, physicochemical parameters, and ADMET analysis were performed to explain the acquired CA inhibitory action of all hybrids. A study of the structure&ndash;activity relationship revealed that bulky substituents at uracil N-1 were unfavored for activity while substituted quinoline and thiouracil were effective for selectivity

Design and synthesis of new spirooxindole candidates and their selenium nanoparticles as potential dual Topo I/II inhibitors, DNA intercalators, and apoptotic inducers

AbstractA new wave of dual Topo I/II inhibitors was designed and synthesised via the hybridisation of spirooxindoles and pyrimidines. In situ selenium nanoparticles (SeNPs) for some derivatives were synthesised. The targets and the SeNP derivatives were examined for their cytotoxicity towards five cancer cell lines. The inhibitory potencies of the best members against Topo I and Topo II were also assayed besides their DNA intercalation abilities. Compound 7d NPs exhibited the best inhibition against Topo I and Topo II enzymes with IC50 of 0.042 and 1.172 μM, respectively. The ability of compound 7d NPs to arrest the cell cycle and induce apoptosis was investigated. It arrested the cell cycle in the A549 cell at the S phase and prompted apoptosis by 41.02% vs. 23.81% in the control. In silico studies were then performed to study the possible binding interactions between the designed members and the target proteins

Synthesis and in-vitro study of pyrimidine-phthalimide hybrids as VEGFR-2 inhibitors with Anti-proliferative activity - supplementary material

   Highlights: 1. Synthesis of different thalidomide analogues starting from 6-aminouracil through the attachment of phthalimide and 2,4-dichloropyrimidine. 2. In-silico ADMET studies showed that compounds represent good oral bioavailable drug candidates that can pass the gut wall but not the blood - brain barrier with any potential side effects to the liver. 3. All compounds were non-mutagenic and non-carcinogenic using an in-silico toxicity prediction tool. 4. Most of the compounds demonstrated good oral bioavailability and good gastrointestinal absorption with no possible adverse effects on the liver or CNS. In addition. 5. Compounds showed anti-proliferative activity against four cell lines Hepatocellular carcinoma (HEPG-2), Mammary gland breast cancer (MCF-7), Colorectal carcinoma Colon cancer (HCT-116), and Human prostate cancer (PC-3) compared to Thalidomide and Doxorubicin.7d, 5f, 5g and 6 showed weak anti-proliferative activity. 7a, 5b, 5d and 5e showed the moderate anti-proliferative activity while 4,7c, 5a and 5c showed high anti-proliferative activity with selective cytotoxicity. 6. 4, 7c, 5a and 5c showed in-vitro inhibitory activity of VEGFR-2 and were capable of binding at VEGFR-2 binding site in an inhibitory mode. Flow-cytometric analysis of cell cycle distribution and apoptosis on MCF-7 showed that 7c arrested the cell cycle at the S phase and increased the ratio of total apoptotic cells by 50 folds (37.68%) compared to 0.75% in untreated cells.</p