Molecular Docking and Pharmacophore-Based Virtual Screening of Novel Inhibitors for HCV NS5B RNA-Dependent RNA Polymerase Enzyme from Crude Sesame Essential Oil.
Concern has been expressed worldwide about the rising prevalence of HCV induced acute hepatitis and chronic liver diseases with associated cirrhosis and liver cancers. However, the available synthetic drugs are ineffective for all the HCV genotypes especially in genotype-1 patients with about 40% viral response rates and numerous side effects. Besides, the availability of veritable bioinformatics tools which includes molecular docking and virtual screening studies have shown that computational generated models nowadays assists in modern drug design and development of novel and more potent inhibitors through the understanding of protein (receptors) -ligand (drugs) interaction mechanisms. Non-structural proteins especially the 5B (NS5B) is an RNA-dependent RNA polymerase implicated in the synthesis and replication of the HCV RNA; and has been a potential target for its inhibitory activities. Due to the paucity of knowledge, we aimed to determine the differential inhibitory activity of essential oils present in the crude Sesame leaves extracts on HCV-NS5B RNA dependent RNA polymerase. Using in-silico studies- a Microsoft pharmacophore-based virtual screening and molecular docking tools on the iGEMDOCK vs 2.0 software was used to dock the essential oil ligands on the generated HCV NS5B (PDB ID: 4EO6) RNA-dependent RNA polymerase protein. GC-MS of the leaves confirmed carboxylic acids and phenolic groups in the essential oils especially some potent antioxidants like alpha-linolenic acid, linoleic acid, oleic acid, etc. Moreover, Alpha-Linolenic acid/ALA (-102.2/-103.4 kcal/mol) and Linoleic acid/LA (-94.8/-109.8 kcal/mol) showed higher inhibitory impacts among the six top different docked ligands, selected based on their high differential binding affinity and pharmacological interaction energy profiles against HCV NS5B RNA polymerase activities, by forming more H-bond interactions than the NS5B co-crystallized ligand. ADMET showed that ALA is well tolerated without any apparent toxicity in the body. Hence, ALA having the highest inhibitory impacts against the HCV NS5B goes to confirm the beneficial…
Comparison of Sequence with Cluster based analysis for molecular properties and composition of Glutathione Peroxidase family proteins
Glutathione peroxidase (GPx) is very important protein helps in eradication of exogenous materials from the body of human reported to do the same work in other organisms. The selenocysteine amino acid contributes to the structure of this protein. Here a comparative study on sequence based methods and property based methods is carried out on all curated sequences of Glutathione Peroxidase for Human. Swiss Prot database was explored and only 65 protein of GPx family was obtained out of which 18 curated sequences were used for further analysis. Sequence based Distance method of Multiple Sequence Analysis is used for finding similar groups. Then all 18 sequences were studied for number of cleavage sites analysis followed by hierarchical clustering which represents cleavage sites based similar groups. Further, these sequences were computed to find amino acid composition and various properties like theoretical PI, Instability Index, Alipahtic Index and Hydropathy, followed by Hierarchical clustering. The interesting fact obtained in this study is that on comparison with the cleavage sites based clustering and amino acid composition with properties based clustering is having similar type of groups. These similar groups are having no relation sequence based methods groups. Hence, we conclude that for finding functional similarity between various sequences clustering of property based methods are more reliable as compared to sequence based methods phylogenetic methods.
A hospital-based laboratory surveillance was conducted to study the prevalence and intensity of enteric parasites in India, with a special emphasis on West Bengal. The survey was conducted among the patients admitted between January 2010 and December 2015 to the Infectious Diseases (ID) Hospital with diarrhoeal complaints. The present study reports the occurrence and prevalence of 3 most abundant enteric parasites, viz. Giardia lamblia, Entamoeba histolytica and Cryptosporadium sp. in Kolkata and surrounding. Of the 4208 samples screened during the study period from ID Hospital, 297 (7.05%) were positive for Giardia lamblia, 20 (0.475%) were positive for Entamoeba histolytica and 94 (2.23%) were positive for Cryptosporidium sp.
Comparitve Effects of Moringa Oleifera Pods, Probiotics and Vitamin E/selenium on Body Weight Gain of Abor- Acre Broiler Chickens
Phytonutrients are reliable solutions to public health concerns on antibiotic resistance and adverse effects of synthetic growth promoters. This study evaluated the effects of Moringa oleifera pods and probiotic on the growth performance of broiler chickens. A total of 100-day-old ABOR-ACRE broiler chicks with average weight of 38 grams were purchased from a hatchery in Ibadan and used for this study. The chicks were randomly divided into 4 groups (A, B, C and D). Group A was fed basal diet supplemented with air dried Moringa oleifera pods powder at inclusion rate of 50g/kg, group B fed basal diet supplemented with a commercial probiotic (Bactofort®) at 0.5g/kg, group C that was fed commercial feed and supplemented vit E/Selenium in drinking water while group D fed only commercial feed served as control. Chickens in all groups were served same quantities of feed and water ad-libitum. Birds were vaccinated against Newcastle disease (B1 and la Sota live vaccines-IZOVAC®) on days 7, 14 and 28. The birds were weighed weekly and feed intake evaluated. Data were analyzed using simple descriptive statistics and two-way ANOVA. Results showed significant difference (p
Review on the use of Bacteriophages as a promising way of mitigating the crisis of Antimicrobial resistance
Antibiotic resistance is considered as a major threat to therapeutics in this era. This resistance has occurred due to various actions that neglect the ethical use of antimicrobials and antibiotics ending up in the abuse of these drugs in clinical, veterinary or agricultural practices. As the number of resistant pathogens increase, more drugs are being produced to cope with the situation and many research methodologies have been carried out in search of an alternative antimicrobial to assuage the threat of antimicrobial resistance. Consequently, phage therapy was discovered and considered effective as well as an alternative way to control the problem of antimicrobial and antibiotic resistance. Bacteriophages are viruses that infect and lyse bacteria. They are commonly referred to as “phage”. They are obligate intracellular parasites that multiply inside bacteria by making use of some or all of the host biosynthetic machinery. The nucleic acids of phages often contain unusual or modified bases, which protect phage nucleic acid from nucleases that break down host nucleic acids during phage infection. Depending upon the phage, the nucleic acid can be either DNA or RNA but not both. Due to their unique characteristics they are considered more effective than other alternatives. Previous trials in the use of bacteriophages have proved that phage as therapeutics have the ability to target bacteria of certain strains or species, without any harmful effect on the rest of the bacterial microflora. Moreover, bacterial antibiotic resistance is not a barrier for phage therapy and they are more effective when combined with antibiotics. This paper briefly reviews the use of phage therapy as an effective alternative to mitigate the global anti microbial resistance problem we are currently battling.
Preliminary Phytochemical Screening and In Vitro Anthelminthic Activity of Detarium Senegalense J.f Gmel (Fabaceae) Leaf Methanol Extract
Detarium senegalense is an importance medicinal plant used in North-east Nigeria and some African countries in traditional medicine. This present study evaluated the preliminary phytochemical screening and anthelminthic activity of methanol leaf extract. Phytochemical screening was carried out by solvent-solvent partitioning of leaf extract in chloroform, n-hexane, dioxane, ethyl acetate, acetone and methanol. The results showed that methanol fraction contained alkaloids, tannins, saponins, and cardiac glycosides while the ethyl acetate fraction contained only flavonoids with no anthracenes. Ethanol fraction demonstrated the highest anthelminthic activity with a decreased time of paralysis and death in the various groups of earthworm (Lumbricus terrestris) in dose-dependent manner at concentrations of 10 mg/mL, 20 mg/mL, 30 mg/mL, and 40 mg/mL. The time for paralysis and death for Group VII 400 mg/mL of extract were 5.0 ± 0.3min and 10.0 ± 1.02 min respectively. This result was compared with that of a standard anthelminthic drug piperazine citrate (USP) whose values were 12 ±1.01 min and 16 ± 1.02 min respectively for time of paralysis and death at p≤0.05 (one-way ANOVA). The results showed that D. senegalense leaf methanol extract possessed anthelminthic activities by osmotic shock at the clitellum portion of the earthworms, and this justifies the use of the plant extract in herbal medicine for the eradication of worms.
Growth Performance of the African catfish, Clarias gariepinus, Fed Varying Inclusion Levels of Allium sativum as Feed Additives
Diet supplementation is an important aspect in aquaculture management especially in intensive or in semi-intensive fish culture. An experiment was conducted to evaluate the effect of Allium sativum on growth performance of African catfish, Clarias gariepinus fries. Four experimental diets were formulated to include Allium sativum powder at 0% (control), 0.5%, 1.0%, and 3.0% as additives. All the four treatment diets were fed to African catfish (Clarias gariepinus) fries over a 70-day period. The result showed a similar (P>0.05) growth responses across the groups. However, the best growth response in body weight gain of 1.44 ± 0.07g, Specific Growth Rate (SGR) of 0.52 ± 0.03g and Feed conversion Ratio (FCR) of 5.60 ± 0.38 was obtained in fish fed 3.0% Allium sativum inclusion level while the best condition factor (K) was observed in fish fed 0.5 % Allium sativum inclusion level. Fish fed 0.0% Allium sativum had the lowest growth response of body weight gain, Specific Growth Rate (SGR), Feed conversion Ratio (FCR) and condition factor of 0.84 ± 0.11g, 0.36 ± 0.03g, 5.77 ± 0.53 and 0.80 ± 0.03 respectively. Garlic inclusion in fish diet at 3.0% (30g/kg) concentration is therefore beneficial for use in aquaculture to enhance growth promotion however a further research is recommended to investigate toxicity of this plant at varying inclusion levels of 0.5% to 3.0% in the Clarias gariepinus culturing to ascertain the best inclusion level.