On the search for potential anti-Trypanosoma cruzi drugs: Synthesis and biological evaluation of 2-hydroxy-3-methylamino and 1,2,3-triazolic naphthoquinoidal compounds obtained by click chemistry reactions

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Molecular modeling databases: A new way in the search of protein targets for drug development

DBMODELING is a relational database of annotated comparative protein structure models and their metabolic, pathway characterization. It is focused on enzymes identified in the genomes of Mycobacterium tuberculosis and Xylella fastidiosa. The main goal of the present database is to provide structural models to be used in docking simulations and drug design. However, since the accuracy of structural models is highly dependent on sequence identity between template and target, it is necessary to make clear to the user that only models which show high structural quality should be used in such efforts. Molecular modeling of these genomes generated a database, in which all structural models were built using alignments presenting more than 30% of sequence identity, generating models with medium and high accuracy. All models in the database are publicly accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools. DBMODELING user interface provides users friendly menus, so that all information can be printed in one stop from any web browser. Furthermore, DBMODELING also provides a docking interface, which allows the user to carry out geometric docking simulation, against the molecular models available in the database. There are three other important homology model databases: MODBASE, SWISSMODEL, and GTOP. The main applications of these databases are described in the present article. © 2007 Bentham Science Publishers Ltd.

Simulation-based cutaneous surgical-skill training on a chicken-skin bench model in a medical undergraduate program

Background: Because of ethical and medico-legal aspects involved in the training of cutaneous surgical skills on living patients, human cadavers and living animals, it is necessary the search for alternative and effective forms of training simulation. Aims: To propose and describe an alternative methodology for teaching and learning the principles of cutaneous surgery in a medical undergraduate program by using a chicken-skin bench model. Materials and Methods: One instructor for every four students, teaching materials on cutaneous surgical skills, chicken trunks, wings, or thighs, a rigid platform support, needled threads, needle holders, surgical blades with scalpel handles, rat-tooth tweezers, scissors, and marking pens were necessary for training simulation. Results: A proposal for simulation-based training on incision, suture, biopsy, and on reconstruction techniques using a chicken-skin bench model distributed in several sessions and with increasing levels of difficultywas structured. Both feedback and objective evaluations always directed to individual students were also outlined. Conclusion: The teaching of a methodology for the principles of cutaneous surgery using a chicken-skin bench model versatile, portable, easy to assemble, and inexpensive is an alternative and complementary option to the armamentarium of methods based on other bench models described. © Indian Journal of Dermatology 2013.

First all-sky search for continuous gravitational waves from unknown sources in binary systems

We present the first results of an all-sky search for continuous gravitational waves from unknown spinning neutron stars in binary systems using LIGO and Virgo data. Using a specially developed analysis program, the TwoSpect algorithm, the search was carried out on data from the sixth LIGO science run and the second and third Virgo science runs. The search covers a range of frequencies from 20 Hz to 520 Hz, a range of orbital periods from 2 to similar to 2,254 h and a frequency-and period-dependent range of frequency modulation depths from 0.277 to 100 mHz. This corresponds to a range of projected semimajor axes of the orbit from similar to 0.6 x 10(-3) ls to similar to 6,500 ls assuming the orbit of the binary is circular. While no plausible candidate gravitational wave events survive the pipeline, upper limits are set on the analyzed data. The most sensitive 95% confidence upper limit obtained on gravitational wave strain is 2.3 x 10(-24) at 217 Hz, assuming the source waves are circularly polarized. Although this search has been optimized for circular binary orbits, the upper limits obtained remain valid for orbital eccentricities as large as 0.9. In addition, upper limits are placed on continuous gravitational wave emission from the low-mass x-ray binary Scorpius X-1 between 20 Hz and 57.25 Hz.

Resolução do problema de carregamento e descarregamento de contêineres em terminais portuários via Beam Search

One problem that has been happening frequently in port terminals is the poor planning of the loading and unloading of containers. The reason of this problem is the lack of an efficient method that provides the best means of these operations. The main goal of this work is, to implement a method that provides the best ways to perform the loading and unloading of containers, at each port and thus bring a great saving for these terminals, since the number of moves is directly proportional to cost. To carry out this program was used the idea that the containers are placed in vertical stacks, where the access can be done only by the top of the stack, so the ship was treated as an matrix and to fill it, two rules were created for loading and two for unloading. To obtain the best sequence of rules was used Beam Search method, which is an enumeration type implicit method that analyzes only the best solution of the tree generated. Thus, the program developed in the Java language, provides the best way to perform the loading and unloading ports and the way as the ship leaves each port using a graphical interface

Atribuição de turmas para professores via Beam Search em Java

In the universities, before the start of each school year, is held the distribution of classes among available teachers. Therefore, it is necessary to consider the maximum workweek for each teacher and their preferences for each discipline, to prevent a teacher to give lessons in two separate locations at the same time and to avoid some teachers to become overloaded while others with large clearance. This process, manually performed, is time consuming and does not allow the visualization of other combinations of assignment of teachers to classes, besides being liable to error. This work aims to develop a decision support tool for the problem of assigning teachers to classes in college. The project encompasses the development of a computer program using the concepts of object orientation and a tree search algorithm of a combinatorial nature called Beam Search. The programming language used is Java and the program has a graphical interface for entering and manipulating data of the problem. Once obtained the schedule data of classes and teachers is possible, by means of the tool, perform various simulations and manual adjustments to achieve the final result. It is an efficient method of class scheduling, considering the speed of task execution and the fact that it generates only feasible results