Navegando por Autor "Silva, Emilly Guedes Oliveira e"
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Artigo In silico structure-based design of peptides or proteins as therapeutic tools for obesity or diabetes mellitus a protocol for systematic review and meta analysis(Medicine, 2023) Medeiros, Isaiane; Aguiar, Ana Júlia Felipe Camelo; Fortunato, Wendjilla Medeiros; Teixeira, Ana Francisca Gomes; Silva, Emilly Guedes Oliveira e; Bezerra, Ingrid Wilza Leal; Maia, Juliana Kelly da Silva; Piuvezam, Grasiela; Morais, Ana Heloneida de AraújoBackground: In silico studies using dynamic simulation or molecular docking have boosted the screening and identification of molecules and/or targets in studies aimed at treating diseases such as obesity and diabetes mellitus, optimizing the development of new drugs. This study aims to describe a systematic review protocol on peptides and proteins evaluated in silico as potential therapeutic agents for obesity or diabetes mellitus. Methods: This protocol followed the Preferred Reporting Items for Systematic Reviews and Meta-analyses Protocols and was registered in the International Prospective Register of Systematic Reviews database (number: CRD42022355540). The databases to be searched will be PubMed, ScienceDirect, Scopus, Web of Science, virtual health library, and EMBASE. It will be included in silico studies that evaluate the simulation by dynamics or molecular docking of proteins or peptides involved in treating obesity or diabetes mellitus. Two independent reviewers will select studies, extract data, and assess methodological quality using the adapted Strengthening the reporting of empirical simulation studies. A narrative synthesis of the included studies will be performed for the systematic reviews. Results: This protocol contemplates the production of 2 systematic reviews to be developed focusing on obesity or diabetes mellitus. Conclusion: The reviews will enable knowledge of peptides and proteins involved in research treating these diseases and will emphasize the importance of in silico studies in this context and for the development of future studiesArtigo Prospecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds(Elsevier, 2023) Morais, Ana Heloneida de Araújo; Luz, Anna Beatriz Santana; Medeiros, Amanda Fernandes de; Bezerra, Lucas Lima; Lima, Mayara Santa Rosa; Pereira, Annemberg Salvino; Silva, Emilly Guedes Oliveira e; Passos, Thais Souza; Monteiro, Norberto de Kassio Vieira; https://orcid.org/0000-0002-6460-911XThe study aimed to prospect in silico native and analogous peptides with anti-SARS CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds (TTIp). From the most stable theoretical model of TTIp (TTIp 56/287), in silico cleavage was performed for the theoretical identification of native peptides and generation of analogous peptides. The anti SARS-CoV-2 potential was investigated through molecular dynamics (MD) simulation between the peptides and binding sites of transmembrane serine protease 2 (TMPRSS2), responsible for the entry of SARS-CoV-2 into the host cell. Five native and analogous peptides were obtained and validated through chemical and physical parameters. The best interaction potential energy (IPE) occurred between TMPRSS2 and one of the native peptides obtained by cleavage with trypsin and its analogous peptide. Thus, both peptides showed many hydrophobic residues, a common physical–chemical property among the peptides that inhibit the entry of enveloped viruses, such as SARS-CoV-2, present in specific drugs to treat COVID-19