Data compression is an important resource used to deal with the increasing size of files. Many genome analysis projects are currently being developed, especially with the advent of the Human Genome Project. With the large amount of information generated through genetic sequencing as well as the need for its processing and analysis, new technologies and algorithms need to be developed frequently. This work proposes and evaluates an implementation of different algorithms of data compression using the Python programming language allied to the use of threads. As a case study it was used genomic data available from the NCBI (National Center for Biotechnology Information) public database. The results show a compression ratio of approximately 40% in the size of the files after the application of the LZW (Lempel-Ziv-Welch) algorithm, thus presenting considerable superiority over the BW (Burrows-Wheeler) algorithm.

Structure-Based Drug Discovery approaches facilitate the efforts towards drug discovery and in this communication these are applied towards development of Calcium Channel Blockers (CCBs). Quantitative structure-activity relationship (QSAR) studies were carried out on a series of 1,3-dioxoisoindoline-5-carboxamide derivatives and the contributing descriptors were identified as hydrophobicity, electronic constant (σ_R1) and some indicator parameter (I). The data set designed based on QSAR conclusions was screened against Voltage gated CCB receptor and the binding profile was predicted.

Despite the efforts to reduce the rate of infection, the resurgence of Tuberculosis, accompanied by strains of Mycobacterium tuberculosis, calls attention to the search for new drugs that can bypass resistance mechanisms. Among the strategies for the development of antitubercular lead compounds, benzothiazinones (BTZ) are included, with highly selective mechanism of action of DprE1 flavoenzyme. We studied four compounds in the antituberculosis activity (IC₅₀ values between 0.029 - 0.060 μg/ml). These derivatives were subjected to energy minimization and Molecular Docking calculations in the software Molegro Virtual Docker, from which the binding free energy calculations showed that the suggested compounds had better binding affinity with DprE1 when compared to PBTZ169, a crystallized inhibitor of DprE1. Our results showed that the compounds showed similar crucial binding interactions between the compounds, which may determine that there was molecular rearrangement within the active site itself. Thus, our studies evidenced the probable interactions that favor the activity of the derivatives, as well as other interactions of the compounds with other residues not reported in the literature, and these may act as lead compounds in the development of new antituberculosis drugs.

The purpose of the present research is to propose a solution to optimize the flow of institutional academic information, given that, for the economic moment in Ecuador, government budgetary allocations do not cover the investment deficit in the renovation, acquisition and technological updating, generating inconveniences in the flow of university information, in compliance with the Law Reforming the Law of Creation of the Amazon State University, which allows to extend the academic offer to different sectors of the region.

 The solution proposed is applied to the Academic Information System, where most of the records related to the generation of institutional evidences of university accreditation, internal control of academic processes, research, community ties and management are stored. The optimization analysis of the information flow is based on the application of the algorithm KP.

Organic molecules of botanical origin can offer a source of compounds of pest management that are more environmentally acceptable and an efficient alternative to replace persistent synthetic insecticides. The molecular docking study using Molegro Virtual Docker software identified that the triterpenoid azadirachtin A showed stable conformations, with lower energy in the ligand-receptor complex of the compounds analyzed in this study, thus having a high affinity for the active site of the enzyme acetylcholinesterase, from a variety of interactions, which can determine its insecticidal potential against the species Drosophila melanogaster.

Leishmaniasis is a neglected disease that does not have adequate treatment. To try to solve this problem, we have tested a database with 33 cyclic imides and evaluated their potential anti-Leishmanial activity (L. donovani) through ligand-based and structure based virtual screening. A diverse set selected from CHEMBL databanks of 818 structures (L. donovani) with tested antileishmanial activity against promastigotes forms, were classified according pIC50 values in order to generate and validate Random Forest model that show higher statistical indices values. The structure of four different L. donovani enzymes were downloaded from PDB databank and imides structures were submitted to molecular docking. In silico study allowed us to suggest that the cyclic imide 5₂₇ can be tested as a potential multitarget molecule for leishmanial treatment, presenting activity against four strategic enzymes to treatment with probability of activity of 60%.

Alkaloids of the canthi-6-one type have been reported in differents natural sources. These alkaloids have showed a wide range of pharmacological properties including cytotoxic, antibacterial, antifungal, antiparasict, antiviral, anti-inflammatory and beside it, some of them show excellent photophysical properties that gives an interesting use as fluorescent dye probe in florescent cellular microscopy. Because it, new studies have been carrying out in an attempt to identify new alkaloids with pharmacological properties. Some researchers have been trying to synthesize new derivatives or identify new compounds in natural sources. Among the >60 canthin-6-one alkaloids already reported in natural sources, more the half are present in plants of the family Simaroubaceae. In the Simaba genus, up to the present, only eighteen alkaloids was described in seven species, but other plants of the genus that occur in the brazilian’s flora haven’t been studied yet. In this work we describe the first phytochemical study of the specie Simaba bahiensis (Simaroubaceae), collected at the city of Camaçari, Bahia State, Brazil. Also, it’s related complete structural determination using differents NMR experiments and HRMS of a new canthin-6-one alkaloid in addition to two others already known.

The genus Stillingia (Euphorbiaceae) is represented by 30 species distributed in the America and islands of the Pacific. In Brazil, seven species are distributed between Caatinga and Atlantic Forest, four of which are predominantly Caatinga. Only four species of Stillingia were studied chemically. Diterpenes with rare flexibilane skeletons have been reported from the roots of S. sanguinolenta. These compounds demonstrated interesting pharmacological activities. The use of hyphenated techniques, such as LC-MS2, coupled with bioinformatics techniques such as Molecular Networking, are able to rapidly identify substances from complex biological extracts. Thus, the objective of the study was the identification of flexibilene diterpenes, using LC-MS2 and Molecular Networking, of root bark of S. loranthaceae. The botanical identification was carried out in the Herbarium Alexandre Leal Costa at the Biology Institute of UFBA. The hexane extract (HE) from the root bark was analyzed by LC-MS2, and the data were used to generate a molecular network in GNPS site. It was possible to observe a cluster represent this diterpene skeleton in the molecular network. This data associated to MS/MS fragmentation approach suggested the presence of several new flexibilene diterpenes and known compounds (tonantzitlolone A-C) already identified from other Stillingia species.

The ne bis in idem principle establishes the impossibility of trying twice a person for the same criminal acts. In this short communication, we analyse the doctrine of the Spain Supreme Court, appreciating a conflict between the previous dualist system and the present vicarial system regarding this matter. The purpose of this study is to determine if the Spanish Supreme Court´s ruling nº 1332/2002 of the, 2^nd courtroom (Criminal Chamber), 15^th of July 2002, broke the ne bis in idem principle. Secondly, we define what this principle means by analysing the sentence. Finally, we made a critical commentary of the assessments of the Court.

Zornia brasiliensis (Leguminosae) is a species popularly known as "urinary", "urine" and "burrow" and its popular use is reported as a diuretic and for treatment of venereal diseases. It occurs in several states of Brazil, being abundant in the Northeast. Therefore, this study aims to contribute to the chemical knowledge of this species through an HPLC-DAD-MS/MS study for the rapid determination of saponins. Aerial parts of Z. brasiliensis were collected in Serra Branca, state of Paraiba. An exsicata was deposited in the Herbarium Arruda Câmara (ACAM) of Campus I of UEPB. After drying and ground, the plant material was subjected to a 95% ethanol maceration for 72 hours, and this process was repeated four times to obtain the crude ethanolic extract (CEE). An aliquot of the CEE (100.0g) was subjected to vacuum liquid chromatography (VCL) with silica deactivated with hexane, dichloromethane, ethyl acetate and methanol solvents. An aliquot of the 50% acetate-methanol fraction was subjected to a specific methodology for the concentration of saponins. This fraction was then analyzed by HPLC-DAD-MS², allowing the identification of a triterpenic saponin, suggesting to be the Soyasaponina IV, described for the first time for the genus Zornia. In this way, this work contributed to the chemistry Z. brasiliensis and corroborated with the chemitaxonomy of the family Leguminosae.