Synthesis, Characterization, AMDET and DOCKING studies of novel diclofenac derivatives containing phenylalanine moiety acting as selective inhibitors against cyclooxygenase (COX-2)

The present work aims to synthesize novel diclofenac derivatives containing L-phenylanline moiety.  In order to gain inhibition actions of  the synthesized compounds against cyclooxygenases, its compounds were docked  into the active sites of (COX-1 and COX-2). The calculations in-silico were predicted that, lowest energies of docked poses for compounds were interacted with residues of active site, perhaps making them possible selective inhibitors against (COX-2) and physiologically  active. The binding scores of some compounds like 7, 12 and 16 were compared with reference drug, and show extensive interactions with the targets, which may considered them a suitable selective inhibitor against   (COX-2). Keywords: Phenylalanine, Diclofenac, COX, DOCKING,  ADMET

Structural, spectral studies and catalytic activity of copper (II) complex of valine-containing polymer

A new copper complex of valine-containing polymer was prepared to mimic an active site center in the metalloenzymes. The valine containing polymer VPAV was prepared by modifying the vinyl pyridine-acrylamide copolymer. The polymer VPAV was investigated using IR, 1H-nmr, and thermal analysis then, the structure was proposed based on the theoretical calculation. The copper complex CuII-VPAV was fully characterized by means of different physicochemical methods such as IR, electronic spectroscopy, EPR and thermal analysis. The catalyst CuII-VPAV was used in the oxidation of poly phenol trihydroxybenzene in the presence and absence of H2O2. The catalysis shows a catalytic efficiency of 1.2 × 104 times in terms of first-order rate constant relative to auto-oxidation of the substrates in an aqueous environment in the presence of H2O2 and under mild conditions. Key words; valine; copolymer; oxidation; polyphenol; modifyin

In vitro regeneration of parsley and coriander plants: uptake, translocation and accumulation of nicotine

It is well known that, nicotine is a type of alkaloids found in some plants of family Solanaceae but some other plants can produce it under different stresses. Medicinal and spice plants cannot synthesize nicotine under normal growth conditions as well as the fate and behavior of nicotine in plant tissues are not understood totally. Many medicinal plants and plant derived products as spices may be contaminated by nicotine from different sources. This contamination could be considered the main problem facing the exportation of these plant products. On the other hand, determining of nicotine putative sources and detecting its uptake from nicotine contaminated soils and tobacco smoke using peppermint plants have been already studied under greenhouse conditions in Germany. These results from pot experiments demonstrated that, peppermint had the ability to uptake and metabolize nicotine endogenously. So, some plants including parsley and coriander were selected to investigate the nicotine uptake mechanism from culture media supplemented with different nicotine concentrations, which extracted from cigarette tobacco (Matosian Egyptian Spirit) comparing with nicotinic acid (as a pure chemical of nicotine) in Egypt. Moreover, this in vitro study aimed to focus on the translocation and accumulation of nicotine in plant tissues. Hence, in virto research has been already begun using parsley and coriander plants. The preliminary results indicated that, regenerated plants of parsley and coriander were successfully obtained on MS medium supplemented with 1 mg L-1 benzyl adenine + 0.01 mg L-1 naphthalene acetic acid. Furthermore, callus cultures have been initiated on MS medium fortified with 1 mg L-1 benzyl adenine + 1 mg L-1 naphthalene acetic acid. Regenerated plants and obtained callus of these plants will be transferred onto MS media supplemented with different concentrations of nicotine and nicotinic acid as mentioned above. In parallel, some field experiments in Egypt have been conducted to get a holistic overview for the object under investigation. Therefore, different experiments including field, pots and in vitro experiments have been conducted in order to reduce the contamination of plants with nicotine

Effect of different slow release potassium fertilizer rates on growth and productivity of banana cv.Williams plants

This study was carried out during the two successive seasons (2017 and 2018) on the first and second ratoon of healthy uniform banana cv. Williams (Musa spp.) Plants grown in sandy soil under drip irrigation system in a private orchard located at El-Tahadi region, Cairo Alexandria desert road, Behaira governorate, Egypt. The investigation aimed to study the effect of different slow release potassium fertilizer (SRKF) (50% K2O) rates (100%, 75% and 50%) were added as soil drench during mid March, mid June and mid September while, potassium sulphate dose used in control treatment was added at monthly intervals as soil application from mid March until mid October on vegetative growth, productivity, total yield income and net return/feddan of banana plants. The obtained results showed that, all treatments had a significant effect on enhancing the vegetative growth parameters, i.e. number of green leaves /plant, plant total assimilation area (m2/plant), leaf total chlorophyll content (CCI) and leaf macro element content (N, P and K) as (%) as well as leaf micro element content (Fe, Zn and Mn) as (ppm). Also, improving yield (ton/feddan), bunch weight (kg), number of hands/bunch, hand weight (kg), number of fingers/hand, finger weight (g), finger length (cm), finger circumference (cm), finger pulp weight (g), finger pulp/peel (ratio), TSS (%), TSS/TA (ratio), total sugars (%). In addition, the total yield income (1000 LE) and net return/feddan (1000 LE) in both seasons. Moreover, all treatments had no significant effect on plant pseudostem height (cm), pseudostem circumferences (cm) and leaf area (m2) of plant in both seasons and bunch length (cm) in the first season only. Treatment of: slow release potassium at 100% gave the highest values of physical and chemical properties of banana plants cv. Williams in both seasons compared to, control treatment (100% potassium sulphate) and slow release potassium at 50% gave the lowest values

Highly Efficient One-pot Synthesis, Antimicrobial and Docking Studies of Newer β-amino Carbonyl Derivatives Catalyzed by Silica Sulfuric Acid

Mannich reaction was applied between 4-fluorobezaldehyde, selected acetophenone and several anilines, catalyzed by silica sulfuric acid for the synthesis of β-amino carbonyl derivatives. Reaction time and yield of the products depended on the nature of acetophenone and aniline subsituents. Using aliphatic amines instead of aromatic amines under same reaction conditions, afforded aldol condensation products without yielding the expected β-amino ketones. Replacing the acetophenone derivatives with rhodanine yielded 5-(4-fluorobenzylidene)-thioxothiazolidin-4-one. Using 2-aminothiophenol instead of the aniline derivatives, 2-(4-fluorophenyl)benzothiazole was obtained without isolation of the expected (mercapto-phenylamino)-1-(4-substitutedphenyl)propan-1-ones. A proposed reaction mechanism was suggested. Docking studies were designed to gain clear picture of the high active compound(s). A model of high active molecules was mapped for the antimicrobial screening and compared with least active compound(s). (doi: 10.5562/cca1983

Seroprevalence of Toxoplasma gondii infection in arthritis patients in eastern China

Background: There is accumulating evidence for an increased susceptibility to infection in patients with arthritis. We sought to understand the epidemiology of Toxoplasma gondii infection in arthritis patients in eastern China, given the paucity of data on the magnitude of T. gondii infection in these patients. Methods: Seroprevalence of T. gondii infection was assessed by enzyme-linked immunosorbent assay using a crude antigen of the parasite in 820 arthritic patients, and an equal number of healthy controls, from Qingdao and Weihai cities, eastern China. Sociodemographic, clinical and lifestyle information on the study participants were also obtained. Results: The prevalence of anti-T. gondii IgG was significantly higher in arthritic patients (18.8%) compared with 12% in healthy controls (P < 0.001). Twelve patients with arthritis had anti-T. gondii IgM antibodies comparable with 10 control patients (1.5% vs 1.2%). Demographic factors did not significantly influence these seroprevalence frequencies. The highest T. gondii infection seropositivity rate was detected in patients with rheumatoid arthritis (24.8%), followed by reactive arthritis (23.8%), osteoarthritis (19%), infectious arthritis (18.4%) and gouty arthritis (14.8%). Seroprevalence rates of rheumatoid arthritis and reactive arthritis were significantly higher when compared with controls (P < 0.001 and P = 0.002, respectively). A significant association was detected between T. gondii infection and cats being present in the home in arthritic patients (odds ratio [OR], 1.68; 95% confidence interval [CI]: 1.24 – 2.28; P = 0.001). Conclusions: These findings are consistent with and extend previous results, providing further evidence to support a link between contact with cats and an increased risk of T. gondii infection. Our study is also the first to confirm an association between T. gondii infection and arthritis patients in China. Implications for better prevention and control of T. gondii infection in arthritis patients are discussed. Trial registration: This is an epidemiological survey, therefore trial registration was not required

A Novel Approach for Classifying MANETs Attacks with a Neutrosophic Intelligent System based on Genetic Algorithm

Recently designing an effective intrusion detection systems (IDS) within Mobile Ad Hoc Networks Security (MANETs) becomes a requirement because of the amount of indeterminacy and doubt exist in that environment. Neutrosophic system is a discipline that makes a mathematical formulation for the indeterminacy found in such complex situations. Neutrosophic rules compute with symbols instead of numeric values making a good base for symbolic reasoning. These symbols should be carefully designed as they form the propositions base for the neutrosophic rules (NR) in the IDS. Each attack is determined by membership, nonmembership, and indeterminacy degrees in neutrosophic system. This research proposes a MANETs attack inference by a hybrid framework of Self-Organized Features Maps (SOFM) and the genetic algorithms (GA). The hybrid utilizes the unsupervised learning capabilities of the SOFM to define the MANETs neutrosophic conditional variables. The neutrosophic variables along with the training data set are fed into the genetic algorithm to find the most fit neutrosophic rule set from a number of initial subattacks according to the fitness function. This method is designed to detect unknown attacks in MANETs. The simulation and experimental results are conducted on the KDD-99 network attacks data available in the UCI machine-learning repository for further processing in knowledge discovery. The experiments cleared the feasibility of the proposed hybrid by an average accuracy of 99.3608 % which is more accurate than other IDS found in literature