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.

Amphibian secretions for drug discovery studies: A search for new antiparasitic and antifungal compounds

The antiparasitic and antifungal activities of nine amphibian skin secretions were studied in different in vitro models. Seven secretions presented a considerable antiprotozoan activity and one showed promising results against Candida sp. These results can be the basis for the development of new drugs, especially for neglected parasitic diseases. © 2007 Bentham Science Publishers Ltd.

Brazilian foreign policy in the Cardoso era: The search for autonomy through integration

The Fernando Henrique Cardoso administration attempted to replace a reactive foreign policy agenda dominated by a logic of autonomy through distance with a proactive international agenda guided by a logic of autonomy through integration. In adopting this agenda, the administration maintained that Brazil would be able to confront its problems and secure more control over its future if it actively contributed to elaborating the norms and guidelines of the administration of the global order. Because of structural weaknesses, however, this policy of integration, adherence, and participation was not adequately accompanied by positions entailing practical responsibilities - responsibilities that would have prepared both government and civil society for a higher profile in the post - cold-war era. In the end, the gains achieved during Cardoso's tenure failed to alter Brazil's international standing in any significant way. © 2007 Latin American Perspectives.

Gravitation: In search of the missing torsion

A linear Lorentz connection has always two fundamental derived characteristics: curvature and torsion. The latter is assumed to vanish in general relativity. Three gravitational models involving non-vanishing torsion are examined: teleparallel gravity, Einstein-Cartan, and new general relativity. Their dependability is critically examined. Although a final answer can only be given by experience, it is argued that teleparallel gravity provides the most consistent approach.