Bioinformatics can be defined as the use of computational tools in the study of problems and biological issues, covering applications related to several areas of knowledge, such as biochemistry and computer science. Thus, virtual screening acts in a standard step before laboratory experiments, for the discovery of new drugs. This technique involves calculating the estimated affinities (molecular docking) and the plausible binding modes of many drug candidates. The main focus of this work is the use of AutoDock Vina, a tool for molecular docking and virtual screening, as well as a distributed implementation using the Python programming language. For the configuration of the experiments VS Framework was used, this is a tool of preparation of virtual screening in which it allows the user to configure in a simplified way an experiment through a web platform. RPyC (Remote Python Call), a Python library for symmetric remote procedure calls was used to execute jobs. Basically, RPyC uses the Remote Procedure Call (RPC) protocol for a client-server implementation. The distributed virtual screening architecture proposed in this work is defined in 5 steps: Step 1 (configuration of the experiment), the VS Framework is used for the initial configuration of the experiment, with the other steps are automated by a Python script; Step 2 (preparing files), all virtual screening entries are converted to the default formats of the rest of the run, for which AutoDock Tools is used; Step 3 (upload the files), the converted files are submitted to the computers that integrate the distributed execution; Step 4 (perform virtual screening) and Step 5 (download the results), the virtual screening is processed and the results are sent to the computer that started the experiment. The results were listed among four combinations of simplified distributed computing infrastructures, divided by 5 virtual machines. The processing of each receptor-ligand in a distributed way had a better performance with the increase of computers in the structure. Finally, the analysis showed that these platforms are suitable for virtual screening executions with different receptor/ligand sizes. These considerations may guide scientists in choosing the best computing framework for their large-scale experiments.

The idealization of correlation is reached via so-called Index of Ideality of Correlation (IIC). The IIC is a mathematical function of two parameters (i) determination coefficient; and (ii) mean absolute error (MAE). Optimal descriptors, which are calculated with simplified molecular input-line entry system (SMILES), obtained via the Monte Carlo optimization that involves the IIC factually have lost ability to provide the overtraining for quantitative structure - property relationships (QSPRs).

Livestock farming is a very important economic activity throughout Western Asia, mainly in Lebanon, where work opportunities are limited and 60 % of the rural population depends on animal products as their main means of subsistence. Livestock activity, besides being a source of food, contributes to generate income through the sale of animal products, which often cover the requirements of the most disadvantaged families. Analyzing the state of the different livestock farms in rural areas of southern Lebanon is the purpose of this paper. This study was carried out in the province of Nabatiye, collecting data of 7,878 animals present in 109 farms in the area. Nowadays, the sector is suffering serious problems such as the progressive reduction in the number of animals, the reduction of grassland areas and the increase in the price of concentrated feed and forages, which triggers an increase in the cost of production. In addition, the poor management of animal products and the weak animal health system in Syria is affecting negatively this sector. The current situation of the livestock in Lebanon shows a weakened system due to the low level of herdsmen training, that affects to the management of the farm, the state of animals health and the quality and safety of the animal products, specifically milk.

The proteins encoded by a biological system present a curious mix of properties. On the one hand, the molecules are tasked with different functions: the system practices and depends critically on the division of labor. On the other hand, the proteins operate cooperatively: the tasks of one are complemented and, in multiple cases, brought to completion by another. How else could the system survive over the long term? The mix of diverse and cooperative traits can be explored with the help of thermodynamic tools. The variables of state for proteins can be coarse-grained so as to place points on phase diagrams. Variables which place points close to one another shine light on the cooperative facets of systems. Variables which disperse points shed light on the diversity of functions. There is one phase point for each protein so encoded and a proteome confers a locus of points. Here we illustrate a novel diagrammatic technique applied to viral systems, specifically influenza A. The motivation is to screen and identify the sites of proteins most critical to the cooperative and complementary nature. Such sites should be targeted for mutation or inhibition to attenuate the impact on host populations.

Poultry farming is one of the most important livestock sectors in Spain, where about 210 eggs are consumed per person per year, a fact that reflects the great social importance of this food. The consumer is more and more aware of the quality and food safety of the products. The quality of the egg is determined by the control of its internal quality and by the absence of external defects on the shell. The alterations of the shell will depend on several factors: age of the hen, handling and situations of stress, nutrition, pathologies. These factors are going to have an influence on the external appearance of the egg and on its food security, which, in short, can mean its withdrawal from the consumption chain. This article makes a review of the influence of the productive phase of the hen in the incidence of presentation of alterations in the shell of the eggs, which will cause a decline in their economic value.

Niekmann-Pick disease (NPD) is an lipid storage disorder called as Sphingnomyllinase. The NPD has highly prevalent in worldwide according to recent epidemiology the populations of NPD 20,099 in the year 2016 for major markets covering US, EU5 (Germany, Spain, France, Italy) and Japan. It is an group of disorders with two different classes;(1) Acid sphingomyelinase deficient Niekmann–Pick disease (ASM-deficient NPD) resulting from mutations in the SMPD1 gene and encompassing type A and type B as well as intermediate forms; (2) Niekmann–Pick disease type C (NP-C) including also type D, resulting from mutations in either the NPC1 or the NPC2 gene. For type A and B, levels of sphingomylinase can be measured from a blood sample. To diagnose type C, a skin sample can help determine whether the transporter is affected. diagnose for NPD as there is no effective available for type A. Type B can be cured by for Bone marrow transplantation. A newly approved drug Miglustat (glucosylcermide synthase inhibitor) has approved for type C and also Hydroxy-propyl beta-cyclodextrin (HpbcD) as potential treatment for NPD. Individuals with NPD type C and type D are frequently placed on low cholesterol diet & cholesterol lowering drugs. The present review describes the diagnosis, treatment, symptoms and number of patients suffered in the Asia countries have presented.

Stilbenes are a class of plant secondary metabolites that show a potential inhibitory effect on cellular events associated with cancer initiation, promotion, and progression, as well as display in vitro growth inhibition in a number of human cancer cell lines. In this report, a quantitative structure-antileukemic relationship (QSAR) of a set of stilbenes is presented. A multiple linear regression approach was adopted to determine the quantitative importance of the combined presence of some variables taken from the ChEMBL database, as well as the antileukemic activity that has been taken from experimental data in the technical literature of anti-proliferative effects (expressed as IC50) and apoptosis-inducing effects (expressed as AC50) of stilbene derivatives on HL60 cells and properties of ChEMBL database. The results for the antileukemic activity (pIC50 and pAC50) show positive correlations with boiling point, and numbers of cis-bonds and methyl groups, as well as negative correlations with the numbers of methoxy groups in ring B and hydroxy groups. Results from stilbenes analysis will be useful for antileukemic activity prediction of new sets of new stilbenoids, which will prove beneficial for health.

The antioxidant capacity of a substance is its ability to prevent or slow down oxidation. This reaction is a transfer of electrons. The molecule catching electrons is the oxidative agent and the molecule giving electrons is the reducing agent. Oxidative stress is toxic for the cells, and it can be limited by different pathways: the inhibition of enzymes responsible of the production of oxidative species, the synthesis, activation or stabilization of antioxidant enzymes, and finally by direct scavenging of radical species.

In living organisms, especially in association to the respiration process, free radicals are commonly produced. Antioxidant are naturally present to prevent damages, and therefore the antioxidant capacity of a substance is a key element to evaluate. Several methods can be employed to assess total antioxidant capacity in a liquid, one of the most famous requires the use of Di-phenyl-picryl-hydrazyl (DPPH).

Brand & Williams developed in 1995 the method of assessment of antioxidant capacity based on the color change of DPPH according to its oxidation status. The oxidized DPPH is a radical, with dark purple color and in contact with antioxidant species, it is reduced and turns to yellow-green color. The amount of oxidized DPPH can be quantified at 517nm spectrophotometrically. Using a known dose of antioxidant molecule, such as Trolox, a standard curve of antioxidant can be built. The antioxidant capacity of any sample can be assessed measuring the oxidized DPPH, in Trolox equivalents. The main limitation of this method are (i) the important volume of sample required and (ii) the interference of molecules of fat present in biological fluids.

A new protocol with adaptations has been developed in order to obtain efficient and reproducible antioxidant capacity measurement in very small biological samples, with a required volume 20 times smaller than in the original method. We used it for antioxidant determination of colostrum, which available quantity is very limited, and contains fat. We insist on the importance of the sonication of DPPH prior to use to obtain a good solubility of the product. We added a complementary centrifugation to get rid of the interferences caused by fat, and on the measurement of absorbance at 517 nm with a nanodrop, so that the volume required is importantly reduced.

This technique could be used for the following purpose: antioxidant capacity assessment in small samples such breast milk and colostrum, but it could also be applied to the industry to assess the antioxidant capacity of dairy products, using reduced volumes.

Finally, for medical use, this technique could be adopted to assess antioxidant capacity in body fluids which sample volume is very limited, such as tears for example, which determination was impossible with the previous method.

"Now and recently, confab is less about preventing and stopping an attack, threat or exposure, and more about how swiftly you can detect that an attack is happening." There's a growing demand for security information and event management (SIEM) technologies and services, which gather and analyse security event big data that is used to manage threats. Big data offers the ability to analyse immense numbers of potential security events and make connections between them to create a prioritized list of threats. With big data, distinct data can be connected, which allows cyber security professionals to take a proactive approach that prevents attacks. Advanced Persistent Threats (APTs) are also used to find and identify where threats are coming from. Integrated security architecture and power of automated information collection and sharing between many security systems, called “Counter-intelligence” to solve the strategic short comings. “Counter intelligence” translates to new security product architecture into a data collection backbone feeding a centralized repository used to correlate security anomalies from, across multiple systems. This paper illustrates the new counter intelligence approach to defend against future cyber security threats by applying modern risk analysis and mitigation methods to protect users’ private data from big data.

Biomedical informatics plays a major role in the advancement of exposome (defined as the complete set of exposures of an individual since conception) research providing tools and methods to effectively manage and analyse the information and data generated during these studies. Exposome research comprises a broad range of data sources some of which have been previously used in the biomedical informatics domain while some other such as those coming from the development of new sensors might be new. In this work we present three examples showing different aspects where biomedical informatics is either supporting or driving exposome research. Knowledge management and representation or potential use of microbiome data by life insurance industry as a mean to analyse risk represent examples of areas where biomedical informatics is supporting exposome research with its tools and methods. At the same time biomedical informatics could potentially lead exposome research in areas such as the study of the exposure to digital technologies and digital stimuli (the digital exposome).