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Your search keyword '"Serafim, Mateus Sá Magalhães"' showing total 21 results
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21 results on '"Serafim, Mateus Sá Magalhães"'

1. The GC% landscape of the Nucleocytoviricota

Author

Witt, Amanda Stéphanie Arantes, Carvalho, João Victor Rodrigues Pessoa, Serafim, Mateus Sá Magalhães, Arias, Nidia Esther Colquehuanca, Rodrigues, Rodrigo Araújo Lima, and Abrahão, Jônatas Santos

Published
2024
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3. New anti-SARS-CoV-2 aminoadamantane compounds as antiviral candidates for the treatment of COVID-19

Author

de Almeida Marques, Daisymara Priscila, Andrade, Luis Adan Flores, Reis, Erik Vinicius Sousa, Clarindo, Felipe Alves, Moraes, Thaís de Fátima Silva, Lourenço, Karine Lima, De Barros, Wellington Alves, Costa, Nathália Evelyn Morais, Andrade, Lídia Maria de, Lopes-Ribeiro, Ágata, Coêlho Maciel, Mariella Sousa, Corrêa-Dias, Laura Cardoso, de Almeida, Isabela Neves, Arantes, Thalita Souza, Litwinski, Vivian Costa Vasconcelos, de Oliveira, Leonardo Camilo, Serafim, Mateus Sá Magalhães, Maltarollo, Vinicius Gonçalves, Guatimosim, Silvia Carolina, Silva, Mário Morais, Tsuji, Moriya, Ferreira, Rafaela Salgado, Barreto, Luiza Valença, Barbosa-Stancioli, Edel Figueiredo, da Fonseca, Flávio Guimarães, De Fátima, Ângelo, and Coelho-dos-Reis, Jordana Grazziela Alves

Published
2024
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5. Development of an Antiviral Medicinal Plant and Natural Product Database (avMpNp Database) from Biodiversity.

Author

Quadros de Azevedo, Daniela, Vinícius Viera Nóia, João, Ribeiro, Yasmim Carla M., Alves dos Reis, Raphael, Ribeiro, Paulo Henrique Otoni, Almeida Moura, Gustavo, Mendes, Pamela, Barbosa de Souza, Ana Beatriz, Carpini Mermejo, Sofia, Serafim, Mateus Sá Magalhães, Fernandes, Thaís Helena Maciel, O'Donoghue, Anthony J., Campos, Alessandra C. Faria Aguiar, Campos, Sérgio Vale Aguiar, Gonçalves Maltarollo, Vinícius, and Oliveira Castilho, Rachel

Published
2024
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6. The GC% landscape of the Nucleocytoviricota

Author

Witt, Amanda Stéphanie Arantes, primary, Carvalho, João Victor Rodrigues Pessoa, additional, Serafim, Mateus Sá Magalhães, additional, Arias, Nidia Esther Colquehuanca, additional, Rodrigues, Rodrigo Araújo Lima, additional, and Abrahão, Jônatas Santos, additional

Published
2024
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8. Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach

Author

Serafim, Mateus Sá Magalhães, primary, Kronenberger, Thales, additional, Rocha, Rafael Eduardo Oliveira, additional, Rosa, Amanda Del Rio Abreu, additional, Mello, Thaysa Lara Gonçalves, additional, Poso, Antti, additional, Ferreira, Rafaela Salgado, additional, Abrahão, Jonatas Santos, additional, Kroon, Erna Geessien, additional, Mota, Bruno Eduardo Fernandes, additional, and Maltarollo, Vinícius Gonçalves, additional

Published
2024
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10. Elaboration and Characterization of Pereskia aculeate Miller Extracts Obtained from Multiple Ultrasound-Assisted Extraction Conditions

Author

Macedo, Maria Clara Coutinho, primary, Silva, Viviane Dias Medeiros, additional, Serafim, Mateus Sá Magalhães, additional, da Veiga Correia, Vinícius Tadeu, additional, Pereira, Débora Tamires Vitor, additional, Amante, Patrícia Regina, additional, da Silva, Antônio Soares Júnior, additional, de Oliveira Prata Mendonça, Henrique, additional, Augusti, Rodinei, additional, de Paula, Ana Cardoso Clemente Filha Ferreira, additional, Melo, Júlio Onésio Ferreira, additional, Pires, Christiano Vieira, additional, and Fante, Camila Argenta, additional

Published
2023
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12. Diversity of Surface Fibril Patterns in Mimivirus Isolates

Author

de Aquino, Isabella Luiza Martins, primary, Serafim, Mateus Sá Magalhães, additional, Machado, Talita Bastos, additional, Azevedo, Bruna Luiza, additional, Cunha, Denilson Eduardo Silva, additional, Ullmann, Leila Sabrina, additional, Araújo, João Pessoa, additional, and Abrahão, Jônatas Santos, additional

Published
2023
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13. Ultrastructural analysis of monkeypox virus replication in Vero cells

Author

Witt, Amanda Stéphanie Arantes, primary, Trindade, Giliane de Souza, additional, Souza, Fernanda Gil de, additional, Serafim, Mateus Sá Magalhães, additional, da Costa, Alana Vitor Barbosa, additional, Silva, Marcos Vinícius Ferreira, additional, de Melo Iani, Felipe Campos, additional, Rodrigues, Rodrigo Araújo Lima, additional, Kroon, Erna Geessien, additional, and Abrahão, Jônatas Santos, additional

Published
2023
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14. Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and Its Variants Displaying Potent Antiviral Activity

Author

Flury, Philipp, Krüger, Nadine, Sylvester, Katharina, Breidenbach, Julian, Al Hamwi, Ghazl, Qiao, Jingxin, Chen, Yan, Rocha, Cheila, Serafim, Mateus Sá Magalhães, Barbosa da Silva, Elany, Pöhlmann, Stefan, Poso, Antti, Kronenberger, Thales, Rox, Katharina, O’Donoghue, Anthony J., Yang, Shengyong, Sträter, Norbert, Gütschow, Michael, Laufer, Stefan A., Müller, Christa E., and Pillaiyar, Thanigaimalai

Abstract

The main protease (Mpro) of SARS-CoV-2 is a key drug target for the development of antiviral therapeutics. Here, we designed and synthesized a series of small-molecule peptidomimetics with various cysteine-reactive electrophiles. Several compounds were identified as potent SARS-CoV-2 Mproinhibitors, including compounds 8n(IC50= 0.0752 μM), 8p(IC50= 0.0887 μM), 8r(IC50= 0.0199 μM), 10a(IC50= 0.0376 μM), 10c(IC50= 0.0177 μM), and 10f(IC50= 0.0130 μM). Most of them additionally inhibited cathepsin L and were also active against SARS-CoV-1 and MERS-CoV Mpro. In Calu-3 cells, several inhibitors, including 8r, 10a, and 10c, displayed high antiviral activity in the nanomolar range without showing cellular toxicity. The cocrystal structure of SARS-CoV-2 Mproin complex with 8prevealed covalent binding to the enzyme’s catalytic residue Cys145 and showed specific, unprecedented interactions within the substrate binding pocket. Compounds 10cand especially 8nwere effective against a panel of naturally occurring nirmatrelvir-resistant mutants, particularly E166V, and showed metabolic stability and additional favorable pharmacokinetic properties, making it a suitable candidate for further preclinical development.

Published
2025
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15. New Binding Site Conformations of the Dengue virus NS3 Protease Accessed by long-timescale Molecular Dynamics Simulations

Author

Kronenberger, Thales, Serafim, Mateus Sá Magalhães, Tonduru, Arun Kumar, Maltarollo, Vinícius Gonçalves, and Poso, Antti

Subjects
viruses, Dengue virus, Molecular Dynamics simulation, NS3 Protease
Abstract

Dengue fever is tropical disease caused by several serotypes of the dengue virus (DENV1-4), affecting over 500 million people every year and placing more than 3.9 billion others at risk. Due to the limited vaccine efficiency and antiviral treatments for this disease, the discovery of new drug candidates is essential. Dengue’s NS3 protease (NS3PRO), is essential for viral post-translational processing and maturation and has been extensively studied as a relevant drug target. Crystal structures often underestimate NS3PRO’s high flexibility, which can assume multiple conformational states depending on the substrate bound. We here expand on the structural knowledge of DENV2’s NS3PROconformational states using long timescale molecular dynamics simulation. The files here enclosed comprise - 5us of simulation without any peptide bound (DENV - noPeptide, splitinto 5x 1us simulations) - 11us simulation of DENV covalently bound to a peptide substrate (split into 3x 1us and 2x 4us simulations) - 9us of simulation of DENV protease with the peptide ligand (not covalently bound, split into 1x 500ns, 1x 2.5us, 3x 1us and 1x 2us simulations). Differences in the samplingare discussed in the originalarticle, since some systems are shorter due to the ligand exiting the active site in later stages of the simulation. All simulation files were generated by Desmond with PBC implemented. Representative snapshots of the simulation are provided for further use.

Published
2020
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18. Himatanthus bracteatus stem extracts present anti-flavivirus activity while an isolated sesquiterpene glucoside present only anti-Zika virus activity in vitro.

Author

da Silva, Marlene Lourenço, Stehmann, João Renato, Serafim, Mateus Sá Magalhães, Vale, Valdicley Vieira, Gontijo, Douglas Costa, Brandão, Geraldo Célio, Kroon, Erna Geessien, and de Oliveira, Alaíde Braga

Subjects
DENGUE viruses, YELLOW fever, ZIKA virus, VIRUSES, DENGUE
Abstract

The hexane and ethanol extracts from Himatanthus bracteatus (Apocynaceae) stems were evaluated for antiviral activity against Zika virus, yellow fever virus and dengue virus 2 and for cytotoxicity in Vero cells by MTT assay. The ethanol extract showed good antiviral activity against the three viruses with selective indexes (SI) > 10 and its fractionation led to the isolation of the known plumieride that was active only against Zika virus (SI of 15.97). [ABSTRACT FROM AUTHOR]

Published
2021
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19. Himatanthus bracteatus stem extracts present anti-flavivirus activity while an isolated sesquiterpene glucoside present only anti-Zika virus activity in vitro

Author

da Silva, Marlene Lourenço, primary, Stehmann, João Renato, additional, Serafim, Mateus Sá Magalhães, additional, Vale, Valdicley Vieira, additional, Gontijo, Douglas Costa, additional, Brandão, Geraldo Célio, additional, Kroon, Erna Geessien, additional, and de Oliveira, Alaíde Braga, additional

Published
2019
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20. Pyrazinyl-Substituted Aminoazoles as Covalent Inhibitors of Thrombin: Synthesis, Structure, and Anticoagulant Properties.

Author

Imberg L, Siutkina AI, Erbacher C, Schmidt J, Broekmans DF, Ovsepyan RA, Daniliuc CG, Gonçalves de Oliveira E, Serafim MSM, O'Donoghue AJ, Pillaiyar T, Panteleev MA, Poso A, Kalinina SA, Bermúdez M, Nekipelov K, Bendas G, Karst U, and Kalinin DV

Abstract

This study presents a novel series of N -acylated 1,2,4-triazol-5-amines and 1 H -pyrazol-5-amines, featuring a pyrazin-2-yl moiety, developed as covalent inhibitors of thrombin. These compounds demonstrated potent inhibitory activity, with derivatives 13a and 13b achieving IC 50 values as low as 0.7 and 0.8 nM, respectively. Mass-shift assays confirmed that these inhibitors covalently bind to the catalytic Ser195 of thrombin, leading to temporary inhibition of its activity through specific acylation. The anticoagulant efficacy of these compounds was validated in plasma coagulation assays, with selected derivatives extending coagulation times in both an activated partial thromboplastin time (aPTT) and prothrombin time (PT) test. Thrombin generation assays further demonstrated that compounds of this series effectively reduced thrombin generation without substantially prolonging clotting times, suggesting a lower risk of bleeding. Selected compounds also strongly inhibited cancer cell- and thrombin-induced platelet aggregation. These results indicate that acylated aminoazoles hold a promise as new anticoagulants., Competing Interests: The authors declare no competing financial interest., (© 2024 American Chemical Society.)

Published
2024
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21. Structure elucidation, biosynthetic gene cluster distribution, and biological activities of ketomemicin analogs in Salinispora .

Author

Castro-Falcón G, Guillén-Matus DG, Da Silva EB, Guo W, Ross A, Serafim MSM, Fernandes THM, Tantillo DJ, O'Donoghue AJ, and Jensen PR

Abstract

We report three new ketomemicin pseudopeptides ( 1 - 3 ) from extracts of the marine actinomycete Salinispora pacifica strain CNY-498. Their constitution and relative configuration were elucidated using NMR, mass spectrometry, and quantum chemical calculations. Using GNPS molecular networking and publicly available Salinispora LCMS datasets, five additional ketomemicin analogs ( 4 - 8 ) were identified with ketomemicin production detected broadly across Salinispora species. The ketomemicin biosynthetic gene cluster ( ktm ) is highly conserved in Salinispora , occurring in 79 of 118 public genome sequences including eight of the nine named species. Outside Salinispora, ktm homologs were detected in various genera of the phylum Actinomycetota that might encode novel ketomemicin analogs. Ketomemicins 1 - 3 were tested against a panel of eleven proteases, with 2 displaying moderate inhibitory activity. This study describes the first report of ketomemicin production by Salinispora cultures, the distribution of the corresponding biosynthetic gene cluster, and the protease inhibitory activity of new ketomemicin derivatives.

Published
2024
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