Molecular Modeling Studies on the Interactions of Aflatoxin B1 and Its Metabolites with Human Acetylcholinesterase. Part II: Interactions with the Catalytic Anionic Site (CAS)

por de Almeida, Joyce S. F. D., Dolezal, Rafael, Krejcar, Ondrej, Kuca, Kamil, Musilek, Kamil, Jun, Daniel, França, Tanos C. C.
Publicado 2018

Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discove...

por Honegr, Jan, Dolezal, Rafael, Malinak, David, Benkova, Marketa, Soukup, Ondrej, de Almeida, Joyce S. F. D., Franca, Tanos C. C., Kuca, Kamil, Prymula, Roman
Publicado 2018

Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological...

por Cardozo, Monique, de Almeida, Joyce S. F. D., Cavalcante, Samir F. de A., Salgado, Jacqueline R. S., Gonçalves, Arlan S., França, Tanos C. C., Kuca, Kamil, Bizzo, Humberto R.
Publicado 2019

Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

por Botelho, Fernanda D., dos Santos, Marcelo C., Gonçalves, Arlan da S., Kuca, Kamil, Valis, Martin, LaPlante, Steven R., França, Tanos C. C., de Almeida, Joyce S. F. D.
Publicado 2020

Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer’s Disease

por de Oliveira C. Brum, Juliana, Neto, Denise Cristian F., de Almeida, Joyce Sobreiro F. D., Lima, Josélia Alencar, Kuca, Kamil, França, Tanos Celmar C., Figueroa-Villar, José D.
Publicado 2019

Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon

por de Paula, Reuel L., de Almeida, Joyce S. F. D., Cavalcante, Samir F. A., Gonçalves, Arlan S., Simas, Alessandro B. C., Franca, Tanos C. C., Valis, Martin, Kuca, Kamil, Nepovimova, Eugenie, Granjeiro, José M.
Publicado 2018

Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2

por Ribeiro, Rayssa, Botelho, Fernanda D., Pinto, Amanda M. V., La Torre, Antonia M. A., Almeida, Joyce S. F. D., LaPlante, Steven R., Franca, Tanos C. C., Veiga-Junior, Valdir F., dos Santos, Marcelo C.
Publicado 2023

Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

por Kitagawa, Daniel A. S., Rodrigues, Rafael B., Silva, Thiago N., dos Santos, Wellington V., da Rocha, Vinicius C. V., de Almeida, Joyce S. F. D., Bernardo, Leandro B., Carvalho-Silva, Taynara, Ferreira, Cintia N., da Silva, Angelo A. T., Simas, Alessandro B. C., Nepovimova, Eugenie, Kuča, Kamil, França, Tanos C. C., Cavalcante, Samir F. de A.
Publicado 2021

In Vitro Evaluation of Neutral Aryloximes as Reactivators for Electrophorus eel Acetylcholinesterase Inhibited by Paraoxon

por Kitagawa, Daniel A. S., Cavalcante, Samir F. de A., de Paula, Reuel L., Rodrigues, Rafael B., Bernardo, Leandro B., da Silva, Munique C. J., da Silva, Thiago N., dos Santos, Wellington V., Granjeiro, José M., de Almeida, Joyce S. F. D., Barcellos, Marcos C., de A. Correa, Ana Beatriz, França, Tanos C. C., Kuča, Kamil, Simas, Alessandro B. C.
Publicado 2019