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Modelagem por homologia da tubulina do Plasmodium falciparum e o estudo de lignanas ariltetralônicas antimaláricas por docking molecular
(Universidade Federal de São Carlos, 2015-06-16) Corrêa, Denis da Silva; Schpector, Julio Zukerman; https://lattes.cnpq.br/4252331837170383; Caracelli, Ignez; https://lattes.cnpq.br/8956527354576143; https://lattes.cnpq.br/8543015864671187
Malaria is an acute febrile disease caused by protozoan parasites of the genus Plasmodium, being the species P. falciparum responsible for the most severe forms and deaths caused by the disease. These parasites have developed resistance to commonly used drugs and therefore there is a need to develop new antimalarial agents. Aryltetralone lignans are compounds that show antiplasmodial activity in vitro against P. falciparum, but its mechanism of action is still not fully understood. In this work, we postulate a plausible mode of action of some aryltetralone lignans and according to the obtained results we suggest modifications to the ligands for a better biological activity. In order to achieve our objectives we first performed a search for similar chemical compounds, for which their macromolecular targets were known. From the results obtained, P. falciparum tubulin was selected as a potential target for these lignans. Since there is no experimentally determined three-dimensional structure for this protein, we performed a molecular homology modeling of P. falciparum tubulin and the structure of bovine tubulin complexed with colchicine was selected as template. The analysis of the obtained model showed that the three dimensional structure of Plasmodium tubulin is conserved in relation to the bovine tubulin with some important substitutions occurring in the colchicine binding site region: Ala250B by Ser248B, Ala316B by Cys314B and Ile318B by Met316B. Then, molecular docking of the aryltetralone lignans, colchicine and podophyllotoxin was performed in the modeled P. falciparum tubulin. The docking calculations results allowed to conclude firstly that, although the amino acid substitutions in the binding site, the colchicine binding mode in the P. falciparum tubulin is exactly the same as that already described in the literature for bovine tubulin. As for podophyllotoxin, a different binding mode from that described in the literature for bovine tubulin was obtained due to the replacement of Ala250B by Ser248B and the Val318B by Met316B. For the aryltetralone lignans studied, three different binding modes were obtained: one exhibited by compounds 1, 2 and 3, another by 4 and 6, and a third one by 5. The lignans 1, 2 and 3 are oriented in a way so that the C ring containing the dimethoxy or methylenedioxy group is positioned in the same region obtained for the ring containing the trimethoxy group in the case of colchicine and podophyllotoxin, performing a C-H...π interaction with Leu246B. Lignans 4 and 6 orient themselves with the aromatic ring C between Ala180A and Leu246B and being held in this position by C-H...π interactions. Lignan 5 is oriented with the aromatic ring C between Leu246B and Leu253B, performing C-H...π interactions with these residues, in a similar way to what was obtained with colchicine in this site. So the likely mechanism of action of the aryltetralone lignans studied here would be their binding to the same colchicine binding site in the tubulin protein of P. falciparum and thereby interrupting the divisions and other cellular functions.
A formação de padres na diocese de São Carlos
(Universidade Federal de São Carlos, 2015-06-16) Rossi, Renan; Souza, André Ricardo de; https://lattes.cnpq.br/7016915324466152; https://lattes.cnpq.br/5742451767849892
Trying to understand a process through which individuals are raised in certain skills and dispositions, "physical and moral states" that are required by society as a whole, but also by specified groups to which one belongs, I conducted a research about the formation of Catholic priests process. I tried to understand from the experience of the diocese of São Carlos / SP, which dynamic, actors and situations were involved in this process of socialization, through which are cultivated in seminarians a number of provisions that in the future will contribute to the exercise of their priestly ministry. This set of provisions that I call priestly habitus is unconsciously and sometimes deliberately instrumentalized by these social actors, both in the daily performance of their social roles and in the maintenance activity or achievement of social positions in the Catholic Church or even in other fields such as the academic one. The dynamics of such priestly habitus cultivation takes place in a broad context, larger than the boundaries of a seminary, covering a range of training situations arranged through an institutionalized itinerary experiences that culminates in ordination. Such a priestly itinerary - equipped with native significance through a structured vocational speech that reduces the importance of profane motivations in the admission at the seminary provides the trajectories of these actors with a purity of inclination that omits the possibility of other interests (less transcendental ones). Finally, I discuss how to some members of the Catholic clergy, to be a priest not as regarded in the official speeches, but in the daily practices is less of an inescapable fixed identity than a contingency identification activity, which is evoked or omitted by these social actors according to the nature of relations at stake.
Avaliação de abordagens de gestão do conhecimento aplicadas a um processo de teste de software enxuto
(Universidade Federal de São Carlos, 2015-06-16) Silva, Ana Eliza Pedroso da; Ferrari, Fabiano Cutigi; https://lattes.cnpq.br/3154345471250570; https://lattes.cnpq.br/3444162625104967
Context: A well-defined testing process is necessary to ensure that the required activities are conducted effectively, supported by maturity models such as TMMi. Even so, for this activities results have real impact on the quality and reliability of the produced artefacts, is fundamental manage the knowledge belonging to the involved individuals. In this context, Knowledge Management (KM) is essential to help software testing professionals acquire and disseminate individual and group expertise. However, existing KM approaches for software testing are still incipient and are driven by different key concepts, such as feedback, lessons learned and knowledge documents. Objective: This work investigates the applicability degree of KM approaches in a streamlined software testing process, from the point of view of professionals with experience in leadership and testing team management in Brazilian companies. Method: A literature search allowed us to identify three KM frameworks for software testing processes. Based on them, we devised their underlying KM processes, upon which we performed two evaluations by means of a critical, in-depth analysis and a survey. An additional investigation explored the combination of the three KM key concepts in a single KM approach for software testing. All evaluations relied on the opinion of experienced software testing professionals. Results: Our results indicate the most applicable KM process, among to the three addressed in our study, to support testing teams in their activities. Such process relies on the concept of feedback provided throughout the software testing lifecycle. Conclusion: Different key concepts applied in KM process leads to diverging opinions regarding their applicability, in the particular scenario of software testing. Combining such concepts into a single KM process may not yield a better solution, possibly due to the augmented complexity and required effort to manage knowledge within testing teams.
Temporalidade e constituição : uma investigação acerca do acesso metodológico à esfera da consciência constitutiva do tempo na fenomenologia husserliana
(Universidade Federal de São Carlos, 2015-06-16) Thomé, Scheila Cristiane; Ferraz Neto, Bento Prado de Almeida; https://lattes.cnpq.br/0084436724293824; https://lattes.cnpq.br/1334137965142207
The aim of this work is to analyze the possibility and the apparent limit of the reflective-descriptive methodological access to the deepest layer of the constitution of time in Edmund Husserl’s phenomenology. If on one side, reflection presents a real possibility of the phenomenological description of consciousness by seeing and capturing in an objectifying way the acts and objects of consciousness, on the other hand, there seems to be at first glance a certain limit concerning the grasp of reflection because reflection can not capture the deepest sphere of the constitution of time as it picks up objects and acts of consciousness, so this original constituent sphere can never become an object. The price paid for making this ultimate constitutive sphere of time an object is falling into a return to infinity. The examination of this methodological issue will be conducted based on the analysis of three periods in which Husserl investigates this question, namely, in On the Phenomenology of the Consciousness of Internal Time (1893-1917); Bernau Manuscripts (1917-1918) and Manuscripts C (1929 to 1934). The thesis that is being defended here is that ever since his early writings about the theme of temporality, Husserl seeks to prepare an answer to the question concerning the methodological access to the deepest realm of time constitution; but it is particularly in his afterthought by formulating the notion of transzendentalphänomenologisierende Ich that Husserl dissolves once and for all the apparent "limit" or "puzzle" about the reflective-descriptive access to the ultimate sphere of time constitution. This resolution becomes possible because the phänomenologisierende Ich is here understood as the Ego which constitutes the time as well as the Ego that observes itself retrospectively in their ways of constituting, so that in this retrospective and constituent movement the transcendental life of consciousness is accessed and can then be captured descriptively in their deepest constituents layers.