CHEMOINFORMATIC ANALYSIS OF SOME FUNGAL PECTINASES INHIBITORS

Fusarium oxysporum f. sp. lycopersici attacks tomato plants and causes wilt disease. Fusarium Pathogenicity is including pectinases enzymes which enable the Fungal penetration into host cell wall. The present study is focused on using Computational tools such as Auto-Dock program for screening of inhibitors of endo and exopolygalacturonase enzymes. It based on Lamarckian Genetic Algorithm (LGA) that estimate the binding energy and inhibition constant as parameters to select the best binding. The binding energy and amino acids interactions for the selected inhibitors were compared with that of the enzyme substrate (polygalacturonic acid) Allium species such as onion plant have been used widely as antimicrobial and antifungal plants. It contains  ranged  between 1 and 5 %  of non-protein sulfur amino-acids, including SE-Prop-1-enyl-L-cysteine S-oxide, S-3Allylsulphinyl-L-alanine and S-Methylcysteine sulfoxide have satisfactory binding interactions and inhibition constant with endo and exopolygalacturonase. In the present study, these compounds were extracted from white onion bulb Giza 20 and detected in the onion extract LC/MS analysis. The Inhibitory effect of these compounds for exopolygalacturonase enzyme was confirmed experimentally by determination of the enzyme activity in the presence and the absence of these compounds. White onion extract 45% inhibition percentage of the exopolygalacturonase activity. The enzyme kinetic study showed increase in the Km value with  stable V-max value in presence of 7µg/µL of  the onion extract. Also, In-vitro experiment of inhibition of F. oxysporum growth in presence 20% and 40% of onion extract showed inhibition percentages of 47% and 53% respectively. The results concluded that onion extract inhibits Fusarium growth through inhibition of exo and endo polygalacturonase. The inhibitory effect of onion extract could be due to its contents of S-E-Prop-1enyl-L-cysteine S-oxide, S-3-Allylsulphinyl-Lalanine and S-Methylcysteinesulphoxide, these compounds have excellent binding interactions and inhibition effects on both exo- and endopolygalacturonases enzymes of Fusarium   oxysporum f. sp. Lycopersic

Identification of potential antiviral compounds from Egyptian marine algae against influenza A virus

Influenza is a contagious viral infection of the respiratory tract, affecting nearly 10% of the world’s population, each year. The aim of this study was to extract and identify antiviral compounds against the influenza-A virus (H1N1) from different species of Egyptian marine algae. Three samples of marine macroalgae species were extracted and the antiviral activity of the extracts were tested on Madin Darby Canine Kidney cells. The bioactive compounds present in the most active fractions were identified using gas chromatography-mass spectrometry (GC-MS), then the binding potentials of the identified compounds were examined towards neuraminidase (NA) of the influenza-A virus using molecular docking. The methanolic extract of Sargassum aquifolium showed promising in-vitro antiviral activity with a selectivity index (SI) value of 101. The GC-MS analysis showed twelve compounds and the molecular docking analysis found that tetradecanoic acid showed the strongest binding affinities towards the NA enzyme.</p

Identification of potential antiviral compounds from Egyptian Red Sea soft corals against Middle East respiratory syndrome coronavirus

The ongoing threat of Middle East respiratory syndrome coronavirus (MERS-CoV) underscores the importance of developing effective antiviral treatments. Current research was conducted to identify potential antiviral compounds from soft corals: Sinularia leptoclados, Sarcophyton ehrenbergi, Nephthea sp., Sarcophyton glaucum and Sarcophyton regulare. The antiviral activities of soft corals extracts were evaluated against MERS-CoV. Gas chromatography-mass spectrometry (GC-MS) was used to identify bioactive compounds. The molecular docking was performed to examine the identified compounds for their binding potentials towards three pathogenic factors of MERS-CoV: main protease, spike and non-structural protein 16/10 complex. The methanolic extract of soft coral Sarcophyton regulare exhibited the most promising activity with 50% inhibitory concentration (IC50) of 4.29 µg/ml and selective index (SI) of 112.2. Among the identified compounds in the active fraction, the molecular docking showed that two fatty acid esters: hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester and octadecanoic acid, 2-hydroxy-1 (hydroxymethyl) ethyl ester had promising docking scores.</p

Epidemiology of heart failure and long-term follow-up outcomes in a north-African population: Results from the NAtional TUnisian REgistry of Heart Failure (NATURE-HF)

International audienceThe NATURE-HF registry was aimed to describe clinical epidemiology and 1-year outcomes of outpatients and inpatients with heart failure (HF). This is a prospective, multicenter, observational survey conducted in Tunisian Cardiology centers. A total of 2040 patients were included in the study. Of these, 1632 (80%) were outpatients with chronic HF (CHF). The mean hospital stay was 8.7 ± 8.2 days. The mortality rate during the initial hospitalization event for AHF was 7.4%. The all-cause 1-year mortality rate was 22.8% among AHF patients and 10.6% among CHF patients. Among CHF patients, the older age, diabetes, anemia, reduced EF, ischemic etiology, residual congestion and the absence of ACEI/ ARBs treatment were independent predictors of 1-year cumulative rates of rehospitalization and mortality. The female sex and the functional status were independent predictors of 1-year all-cause mortality and rehospitalization in AHF patients. This study confirmed that acute HF is still associated with a poor prognosis, while the mid-term outcomes in patients with chronic HF seems to be improved. Some differences across countries may be due to different clinical characteristics and differences in healthcare systems