Projetos Ativos
Publicações do projeto
| proj835 | Universidade Federal do Rio de Janeiro | Instituto de Quimica |
|---|---|---|
| Estudo teorico de sistemas biologicos | ||
| Publicações | Mestrado | Doutorado |
| 12 | 0 | 2 |
| Publicação Scientific Reports. |
Data, Vol/Fasc/Pag 14, 8620 (2024). |
| Título Molecular modeling studies and in vitro enzymatic assays identified a 4-(nitrobenzyl)guanidine derivative as inhibitor of SARS-Cov-2 Mpro. | |
| Autores Kaio Maciel de Santiago Silva et al. | |
| Publicação Scientific Reports. |
Data, Vol/Fasc/Pag 14, 8991 (2024). |
| Título Statine-based peptidomimetic compounds as inhibitors for SARS-CoV-2 main protease (SARS-CoV-2 Mpro). | |
| Autores Pedro Henrique R. de Azevedo et al. | |
| Publicação Scientific Reports. |
Data, Vol/Fasc/Pag 14, 11575 (2024). |
| Título Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors. | |
| Autores Priscila Gpes Camargo et al. | |
| Publicação Chemico-Biological Interactions. |
Data, Vol/Fasc/Pag Volume 403, 1 November 2024, 111216. |
| Título Effect of a thiohydantoin salt derived from L-Arginine on Leishmania amazonensis and infected cells: Insights from biol. eff. to mol. docking interac. | |
| Autores Bruna Taciane da Silva Bortoleti et al. | |
| Publicação Journal of the Brazilian Chemical Society. |
Data, Vol/Fasc/Pag 2023, 00, 00, 1-15. |
| Título Exploring Urease Inhibition by Coumarin Derivatives through in silico and in vitro Methods. | |
| Autores Marcieli Fabris,Priscila G. Camargo, Mariana L. Silva, Talis U. Silva, Sergio P. Machado, et al. | |
| Publicação Journal of Biomolecular Structure and Dynamics. |
Data, Vol/Fasc/Pag 2023-jun/XX/XX |
| Título Development, validation and analysis of a human profurin 3D model using comparative modeling and molecular dynamics simulations. | |
| Autores Brenda de Souza Ferrari, Camilo Henrique da Silva Lima, Magaly Girao Albuquerque. | |
| Publicação Journal of Biomolecular Structure and Dynamics. |
Data, Vol/Fasc/Pag 2023-Abr/XX/XX. |
| Título In silico drug repurposing by combining machine learning classification model and molecular dynamics to identify a potential OGT inhibitor. | |
| Autores Pedro Henrique Rodrigues de Alencar Azevedo, Bruna Rachel de Britto Peçanha, et al. | |
| Publicação Brazilian Symposium on Medicinal Chemistry. |
Data, Vol/Fasc/Pag 24-27/10/2023 |
| Título [Molecular dynamics simulation of a thiohydantoin derivative as a potential inhibitor of Trypanosoma cruzi CYP51 versus human CYP2C9. | |
| Autores Priscila G. C. de Carvalho, Mariana L. Silva, Marcelle L. F. Bispo, Magaly G. Albuquerque, et al. | |
| Publicação Journal of Biomolecular Structure and Dynamics. |
Data, Vol/Fasc/Pag 2022(sep). |
| Título In silico approach identified benzoylguanidines as SARS-CoV-2 main protease (M pro ) potential inhibitors. | |
| Autores Kaio Maciel de Santiago-Silva, Priscila Camargo, Gabriel Felix da Silva Gomes, et al. | |
| Publicação Journal of Biomolecular Structure and Dynamics. |
Data, Vol/Fasc/Pag 2022(nov). |
| Título In silico approaches and in vitro assays identify a coumarin derivative as antiviral potential Against SARS-CoV-2 | |
| Autores Gabriel Felix da Silva Gomes, Priscila Goes Camargo, Kaio Maciel de Santiago-Silva, et al. | |
| Publicação Journal of Biomolecular Structure and Dynamics. |
Data, Vol/Fasc/Pag 2022(Feb). |
| Título Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5-phosphosufate reductase. | |
| Autores Talis Uelisson da Silva, Karina de Carvalho Pougy, Magaly Girão Albuquerque, et al. | |
| Publicação Inorganic Chemistry Communications |
Data, Vol/Fasc/Pag 2022(Jan), 135, 109120 |
| Título Molecular modeling of indazole-3-carboxylic acid and its metal complexes (Zn, Ni, Co, Fe and Mn) as NO synthase inhibitors: DFT calculations, docki... | |
| Autores Talis Uelisson da Silva, Everton Tomaz da Silva, Karina de Carvalho Pougy et al. | |