DRUG-RECEPTOR INTERACTIONS:<i>IN SILICO</i>APPROACHES APPLIED TO EXPERIMENTAL CLASSES REGARDING THE EVOLUTION OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS

Tavares, Maurício Temotheo; Primi, Marina Candido; Polli, Michelle Carneiro; Ferreira, Elizabeth Igne; Parise-Filho, Roberto

doi:10.5935/0100-4042.20150113

Cited by 3 publications

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“…However, just molecular size cannot explain the differences in inhibition. Comparatively, the angiotensin-converting enzyme (ACE) inhibition, another member of the aminopeptidase family with the similar catalytic domain and zinc ion as a cofactor, shows an inverse correlation between molecular volume and activity [29,30,31]. As observed by the SiteMap analyses (Figure 3E), the closed conformation of the pAMP active site have small contributions of hydrophobic residues and, therefore, the insertion of a methyl group (increasing hydrophobicity), could be deleterious, when not addressing proper pockets.…”

Section: Discussionmentioning

confidence: 99%

Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins

et al. 2019

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Aminopeptidase M (AMP) inhibition is of interest for several diseases, such as highly vascularized cancer types. AMP can be inhibited by linear pentapeptides isolated from Microcystis aeruginosa LTPNA08 (MG7XX). Porcine AMP inhibition—a model for human AMP—activity was spectrophotometrically measured by the formation of p-nitroanilide from L-leucine-p-nitroanilide substrate by AMP. AMP inhibition by MG770 exhibited comparable inhibition levels to amastatin (IC50 values: 1.20 ± 0.1 μM and 0.98 ± 0.1 μM, respectively), while MG756 was slightly less potent (with IC50 values of 3.26 ± 0.5 μM). Molecular modelling suggests a potential binding mode, based on the interaction with the Zn2+ cofactor, where MG770′s extra methyl group contributes to the disturbance of the Zn2+ cofactor complex and highlights the importance of hydrophobicity for the site.

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Section: Discussionmentioning

confidence: 99%

Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins

et al. 2019

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“…Por fim, as estratégias de aprendizagem (item 3) precisam ser melhoradas de acordo com as opiniões registradas. É verdade que a FCF-USP ainda adota aulas teóricas e métodos puramente expositivos para muitos dos cursos que compõem as ciências farmacêuticas, ainda que diversos estudos tenham indicado o sucesso de métodos alternativos de ensino, no engajamento estudantil (21)(22)(23)(24)(25). Em concordância às respostas registradas está o fato de que diversas instituições tradicionais, que lideram os rankings de avaliação de desempenho pela crítica especializada, lançam mão de métodos modernos e alternativos de ensino-aprendizagem (também chamado de "Ensinagem"), os quais envolvem, por exemplo, métodos ativos de ensino, onde alunos são os principais objetos do processo de aprendizagem, e os professores assumem o papel de facilitadores deste processo.…”

Section: Processamento Dos Dadosunclassified

O Impacto De Estágios No Exterior Sobre O Desenvolvimento Acadêmico De Estudantes Do Curso De Farmácia Da Universidade De São Paulo: Um Estudo De Caso De 10 Anos

Tavares

Ferreira

Primi

et al. 2018

Infarma

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The internationalization of higher education has been incorporated into the policy guidelines of Brazilian universities, and internships abroad are good examples of this behavior. During recent years, undergraduate internships have received more attention about the number of approved applications. However, the literature lacks studies that have measured the contributions of this policy. We evaluated the engagement of undergraduate students from the Faculty of Pharmaceutical Sciences, University of São Paulo, in internships abroad and the impact of such experiences abroad on students' personal, professional, and academic life. Data were collected through a multiple-choice questionnaire that was administered to alumni who engaged in internships abroad between 2007-2016. The most frequent destinations for internships were Canada, England, Australia, and the United States. The Science without Borders (Ciência sem Fronteiras) mobility program funded 89% of all scholarships. The students' main motivations for submitting internship applications included improving foreign languages, experiencing life abroad, and bolstering their professional career. Only 19% of the students were able to receive equivalent course credit for mandatory disciplines abroad. Nonetheless, 91% validated elective classes. According to the students, support for students, infrastructure, library access, and information technology, and learning strategies need to be improved at Brazilian universities.A internacionalização do ensino superior foi incorporada às diretrizes das universidades brasileiras e estágios no exterior são bons exemplos desta medida. Nos últimos anos, a procura por estágios internacionais tem aumentado, porém, a literatura carece de avaliações sobre as contribuições desta política. Neste sentido, o presente trabalho avalia o envolvimento de alunos de graduação da Faculdade de Ciências Farmacêuticas da Universidade de São Paulo em estágios no exterior e o impacto das experiências sobre a vida pessoal, profissional e acadêmica dos estudantes. Os dados foram coletados por um questionário aplicado a ex-alunos que realizaram estágios no exterior entre 2007-2016. Os resultados indicaram que os destinos mais frequentes dos estágios foram Canadá, Inglaterra, Austrália e Estados Unidos. O programa Ciência sem Fronteiras financiou 89% de todas as bolsas de estudo aprovadas. As principais motivações dos alunos para execução do estágio internacional incluíram: melhorar a proficiência na língua estrangeira,

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“…Nonetheless, this method is not always able to captivate the student the same way as a practical approach . Recently, several efforts to develop new didactic strategies to teach medicinal chemistry to both undergraduate and graduate pharmacy and chemistry students have shown that practical approaches are able to more effectively reach the students and consequently lead them to a deeper understanding about the theoretical aspects. − Hence, allowing a student to explore the drug–target complex three-dimensionally and the locus of interactions may increase the student’s comprehension of all variables related to the formation of the ligand–target complex. , …”

Section: Introductionmentioning

confidence: 99%

Using an in Silico Approach To Teach 3D Pharmacodynamics of the Drug–Target Interaction Process Focusing on Selective COX2 Inhibition by Celecoxib

et al. 2016

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Teaching the molecular aspects of drug–target interactions and selectivity is not always an easy task. In this context, the use of alternative and engaging approaches could help pharmacy and chemistry students better understand this important topic of medicinal chemistry. Herein a 4 h practical exercise that uses freely available software as a tool to teach the drug–target interaction process is described. This exercise is designed as a comparative approach based on the distinct cyclooxygenase 2 (COX2) affinities of ibuprofen and celecoxib. Students learn how to find crystallographic structures in free protein databases online and how to treat the raw crystallographic data. Thus, students learn how to analyze the drug arrangement on the active site, looking for areas that are related to the molecular recognition process. At the end of the class, students summarize all of the molecular requirements related to drug–target interactions and selectivity. Additionally, students visualize three-dimensionally the structure–activity relationship of ibuprofen and celecoxib.

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DRUG-RECEPTOR INTERACTIONS:IN SILICOAPPROACHES APPLIED TO EXPERIMENTAL CLASSES REGARDING THE EVOLUTION OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS

Cited by 3 publications

References 0 publications

Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins

Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins

O Impacto De Estágios No Exterior Sobre O Desenvolvimento Acadêmico De Estudantes Do Curso De Farmácia Da Universidade De São Paulo: Um Estudo De Caso De 10 Anos

Using an in Silico Approach To Teach 3D Pharmacodynamics of the Drug–Target Interaction Process Focusing on Selective COX2 Inhibition by Celecoxib

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