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115 results on '"Anacleto S"'

1. Antioxidant Activity, Molecular Docking, Quantum Studies and In Vivo Antinociceptive Activity of Sulfonamides Derived From Carvacrol

Author

Aldo S. de Oliveira, Luana C. Llanes, Ricardo J. Nunes, Catharina Nucci-Martins, Anacleto S. de Souza, David L. Palomino-Salcedo, María J. Dávila-Rodríguez, Leonardo L. G. Ferreira, Adair R. S. Santos, and Adriano D. Andricopulo

Subjects
sulfonamides, pain, carvacrol, molecular modeling, antioxidant, Therapeutics. Pharmacology, RM1-950
Abstract

The synthesis and antioxidant, antinociceptive and antiedematogenic activities of sulfonamides derived from carvacrol—a druglike natural product—are reported. The compounds showed promising antioxidant activity, and sulfonamide derived from morpholine (S1) demonstrated excellent antinociceptive and antiedematogenic activities, with no sedation or motor impairment. The mechanism that underlies the carvacrol and derived sulfonamides’ relieving effects on pain has not yet been fully elucidated, however, this study shows that the antinociceptive activity can be partially mediated by the antagonism of glutamatergic signaling. Compound S1 presented promising efficacy and was predicted to have an appropriate medicinal chemistry profile. Thus, derivative S1 is an interesting starting point for the design of new leads for the treatment of pain and associated inflammation and prooxidative conditions.

Published
2021
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4. Safety and tolerability of single-j vs. double-j stents after ureterorenoscopy – a randomized trial

Author

Laranjo Tinoco, C., primary, Martins, L., additional, Cardoso, A., additional, Araújo, A.S., additional, Capinha, M., additional, Pinto, L., additional, Coutinho, A., additional, Rodrigues, R., additional, Anacleto, S., additional, Ribeiro, J., additional, Carvalho-Dias, E., additional, Mendes, M., additional, Marques, V., additional, Pimentel Torres, J., additional, Oliveira, C., additional, Alves, M., additional, and Mota, P., additional

Published
2024
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6. Laparoscopic supracervical hysterectomy with sacrocolpopexy

Author

Cardoso, A., primary, Capinha, M., additional, Anacleto, S., additional, Matos Rodrigues, R., additional, Laranjo Tinoco, C., additional, Araújo, A.S., additional, Pinto, L., additional, Marques, V., additional, Pimentel Torres, J., additional, Mendes, M., additional, Vale, L., additional, and Carvalho-Dias, E., additional

Published
2024
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7. Insertion of a Divergent GAF-like Domain Defines a Novel Family of YcgR Homologues That Bind c‑di-GMP in Leptospirales

Author

Aline Biazola Visnardi, Rodolfo Alvarenga Ribeiro, Anacleto Silva de Souza, Tania Geraldine Churasacari Vinces, Edgar E. Llontop, Anielle Salviano de Almeida Ferrari, Pedro Antônio França Henrique, Daniela Valdivieso, Daniel Enrique Sánchez-Limache, Gabriela Roberto Silva, Eduardo Pereira Soares, Thomas Wittmann Cezar Santos, Chuck Shaker Farah, Rogerio Corte Sassonia, Roberto K. Salinas, Cristiane Rodrigues Guzzo, and Robson Francisco de Souza

Subjects
Chemistry, QD1-999
Published
2025
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24. Selenium-derivative compounds: a review of new perspectives in the treatment of Alzheimer's disease

Author

Antonio L. Braga, Aldo S. de Oliveira, Flavio A.R. Barbosa, Rômulo F.S. Canto, Kerolain F. Teixeira, and Anacleto S. de Souza

Subjects
Pharmacology, Drug Discovery, Organic Chemistry, Molecular Medicine, Biochemistry
Abstract

Background: Alzheimer’s disease (AD) is one of the most prevalent types of dementia, affecting millions of older people worldwide. AD is stimulating efforts to develop novel molecules targeting its main features associated with a decrease in acetylcholine levels, an increase in oxidative stress and depositions of amyloid-β (Aβ) and tau protein. In this regard, selenium-containing compounds have been demonstrated as potential multi-targeted compounds in the treatment of AD. These compounds are known for their antioxidant and anticholinesterase properties, causing a decrease in Aβ aggregation. Objective: In this review, we approach structure-activity relationships of each compound, associating the decrease of ROS activity, an increase of tau-like activity and inhibition of AChE with a decrease in the self-aggregation of Aβ. Methods: We also verify that the molecular descriptors apol, nHBAcc and MlogP may be related to optimized pharmacokinetic properties for anti-AD drugs. Results: In our analysis, few selenium-derived compounds presented similar molecular features to FDA-approved drugs. Conclusion: We suggest that unknown selenium-derived molecules with apol, nHBAcc and MlogP like FDA-approved drugs may be better successes with optimized pharmacokinetic properties in future studies in AD.

Published
2021

25. Antioxidant Activity, Molecular Docking, Quantum Studies and In Vivo Antinociceptive Activity of Sulfonamides Derived From Carvacrol

Author

de Oliveira, Aldo S., primary, Llanes, Luana C., additional, Nunes, Ricardo J., additional, Nucci-Martins, Catharina, additional, de Souza, Anacleto S., additional, Palomino-Salcedo, David L., additional, Dávila-Rodríguez, María J., additional, Ferreira, Leonardo L. G., additional, Santos, Adair R. S., additional, and Andricopulo, Adriano D., additional

Published
2021
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28. Latin America’s Dengue Outbreak Poses a Global Health Threat

Author

Michelle Teixeira de Almeida, Davi Gabriel Salustiano Merighi, Aline Biazola Visnardi, Cauê Augusto Boneto Gonçalves, Vitor Martins de Freitas Amorim, Anielle Salviano de Almeida Ferrari, Anacleto Silva de Souza, and Cristiane Rodrigues Guzzo

Subjects
Dengue, outbreak, vaccines, pandemic, epidemiology, Microbiology, QR1-502
Abstract

Dengue fever, caused by the dengue virus (DENV), poses a significant global health challenge, particularly in tropical and subtropical regions. Recent increases in indigenous DENV cases in Europe are concerning, reflecting rising incidence linked to climate change and the spread of Aedes albopictus mosquitoes. These vectors thrive under environmental conditions like temperature and humidity, which are increasingly influenced by climate change. Additionally, global travel accelerates the cross-border spread of mosquito-borne diseases. DENV manifests clinically in a spectrum from asymptomatic cases to severe conditions like dengue hemorrhagic fever and dengue shock syndrome, influenced by viral serotype and host factors. In 2024, Brazil experienced a fourfold increase in dengue cases compared to 2023, accompanied by higher mortality. Conventional control measures, such as vector control, community engagement, and vaccination, proved insufficient as climate change exacerbated mosquito proliferation, challenging containment efforts. In this regard, our review analyzes prevention measures and therapeutic protocols during the outbreak while addressing DENV transmission dynamics, clinical presentations, and epidemiological shifts. It also evaluates diagnostic strategies combining clinical assessment with serological and molecular testing, providing information to improve diagnostic and preventive measures. The global expansion of dengue-endemic regions, including outbreaks in Europe, highlights the urgent need for enhanced surveillance, proactive interventions, and international collaboration to mitigate the growing threat of Dengue and other arboviruses like West Nile, Zika, Chikungunya, Oropouche, and Yellow Fever viruses.

Published
2025
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32. Percutaneous nephrostomy, ureteral stent or primary ureteroscopy with stone removal for the treatment of hydronephrosis secondary to ureteric calculi: A prospective evaluation of the impact on complications, stone management and health-related QoL

Author

Matos Rodrigues, R., primary, Silva, B., additional, Morais, N., additional, Pereira, J.P., additional, Anacleto, S., additional, Passos, P., additional, Torres, J., additional, Dias, E., additional, Lima, E., additional, and Mota, P., additional

Published
2020
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33. Quantitative Structure-Activity Relationships for Structurally Diverse Chemotypes Having Anti

Author

Anacleto S, de Souza, Leonardo L G, Ferreira, Aldo S, de Oliveira, and Adriano D, Andricopulo

Subjects
Machine Learning, Chagas’ disease, QSAR, molecular modeling, Trypanosoma cruzi, Quantitative Structure-Activity Relationship, Trypanocidal Agents, artificial neural networks, Article
Abstract

Small-molecule compounds that have promising activity against macromolecular targets from Trypanosoma cruzi occasionally fail when tested in whole-cell phenotypic assays. This outcome can be attributed to many factors, including inadequate physicochemical and pharmacokinetic properties. Unsuitable physicochemical profiles usually result in molecules with a poor ability to cross cell membranes. Quantitative structure-activity relationship (QSAR) analysis is a valuable approach to the investigation of how physicochemical characteristics affect biological activity. In this study, artificial neural networks (ANNs) and kernel-based partial least squares regression (KPLS) were developed using anti-T. cruzi activity data for broadly diverse chemotypes. The models exhibited a good predictive ability for the test set compounds, yielding q2 values of 0.81 and 0.84 for the ANN and KPLS models, respectively. The results of this investigation highlighted privileged molecular scaffolds and the optimum physicochemical space associated with high anti-T. cruzi activity, which provided important guidelines for the design of novel trypanocidal agents having drug-like properties.

Published
2019

48. Molecular Dynamics Simulations Suggest SARS-CoV-2 3CLpro Mutations in Beta and Omicron Variants Do Not Alter Binding Affinities for Cleavage Sites of Non-Structural Proteins

Author

Vitor Martins de Freitas Amorim, Robson Francisco de Souza, Cristiane Rodrigues Guzzo, and Anacleto Silva de Souza

Subjects
molecular dynamics, SARS-CoV-2 variants of concern, 3CLpro, viral load, Specialties of internal medicine, RC581-951
Abstract

In the course of SARS-CoV-2 infection, the 3CL or nsp5 protease plays a pivotal role as the most important viral protease required for the maturation of viral proteins during host infection. Herein, we simulated for 500 ns 3CLproWT, 3CLproH41A, 3CLproBeta, and 3CLproOmicron, in complex with the substrates nsp 4|5 and nsp 5|6. Our results show that mutations in the 3CLpro present in the SARS-CoV-2 variants of concern (VOCs) did not lead to significant conformational changes or changes in substrate binding affinities. However, significantly high cleavage rates for the boundary between nsp4 and nsp5 were obtained for 3CLproBeta and 3CLproOmicron and may play a key role in viral replication and virus fitness gain. Our molecular dynamics data suggest that the cleavage rate of nsp4|5 may be related to the increased amount of viral load observed for these VOCs, releasing more nsp4 than other non-structural proteins. This study is limited by being fully computational. However, our results suggest that the cleavage rate may be affected by mutations. Based on our hydrogen bonding analyses, we also discovered that Gly143 and Glu166 are key residues in substrate recognition, suggesting that these residues may be incorporated as pharmacophoric centers for Beta and Omicron variants in drug design. Our results suggest that Gly143 and Glu166 are essential residues to interact with Gln6 of the different substrates and, therefore, are potential broad-spectrum pharmacophoric centers of SARS-CoV-2 3CLpro.

Published
2023
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