Compendi d'articles, Doctorat internacionalThe human 20S proteasome activity and malfunction has been related to numerous diseases and validated as a protein target for inhibition in the treatment of cancer, with three proteasome inhibitors approved as a drug. But these compounds could be improved, since usually the molecular mechanism of action is unknown. Thus, computational studies can clarify the mode of action of proteasome inhibitors, helping to understand the system and improve the inhibition process The present thesis is devoted to understand the mode of action of two classes of covalent inhibitors of the 20S proteasome, α,β-epoxyketones and γ-lactam-β-lactones. Molecular dynamics simulations with hybrid QM/MM potentials have been u...
A computational procedure was developed to study the subunit‐specific interactions of the proteasome...
In this work a computational study of the mechanism of inhibition of cruzain, rhodesain, and catheps...
Human chymase catalyzes the hydrolysis of peptide bonds. Three chymase inhibitors with very similar ...
The human 20S proteasome activity and malfunction has been related to numerous diseases and validate...
Proteasome emerged as an important target in recent pharmacological research due to its pivotal role...
20S proteasome is a main player in the protein degradation pathway in the cytosol, thus intervening ...
20S proteasome is a main player in the protein degradation pathway in the cytosol, thus intervening...
Covalent inhibition of the 20S proteasome is one of the strategies used in the fight against cancer,...
A combination of molecular dynamics (MD) simulations and computational analyses uncovers structural ...
Falcipain-2 and cruzain are cysteine proteases involve in Malaria and Chagas disease. Today, many as...
Cysteine proteases are the most abundant proteases in parasitic protozoa and they are essential enz...
The ubiquitin-proteasome system plays an important role in cellular homeostasis and also has a criti...
The proteasome is a validated target for anticancer therapy, and proteasome inhibition is employed i...
The ubiquitin–proteasome pathway is particularly important for the regulated degradation of various ...
AbstractThe ubiquitin–proteasome pathway is particularly important for the regulated degradation of ...
A computational procedure was developed to study the subunit‐specific interactions of the proteasome...
In this work a computational study of the mechanism of inhibition of cruzain, rhodesain, and catheps...
Human chymase catalyzes the hydrolysis of peptide bonds. Three chymase inhibitors with very similar ...
The human 20S proteasome activity and malfunction has been related to numerous diseases and validate...
Proteasome emerged as an important target in recent pharmacological research due to its pivotal role...
20S proteasome is a main player in the protein degradation pathway in the cytosol, thus intervening ...
20S proteasome is a main player in the protein degradation pathway in the cytosol, thus intervening...
Covalent inhibition of the 20S proteasome is one of the strategies used in the fight against cancer,...
A combination of molecular dynamics (MD) simulations and computational analyses uncovers structural ...
Falcipain-2 and cruzain are cysteine proteases involve in Malaria and Chagas disease. Today, many as...
Cysteine proteases are the most abundant proteases in parasitic protozoa and they are essential enz...
The ubiquitin-proteasome system plays an important role in cellular homeostasis and also has a criti...
The proteasome is a validated target for anticancer therapy, and proteasome inhibition is employed i...
The ubiquitin–proteasome pathway is particularly important for the regulated degradation of various ...
AbstractThe ubiquitin–proteasome pathway is particularly important for the regulated degradation of ...
A computational procedure was developed to study the subunit‐specific interactions of the proteasome...
In this work a computational study of the mechanism of inhibition of cruzain, rhodesain, and catheps...
Human chymase catalyzes the hydrolysis of peptide bonds. Three chymase inhibitors with very similar ...