Structure-Aided Computational Design of Triazole-Based Targeted Covalent Inhibitors of Cruzipain.
Triazoles
/ chemistry
Cysteine Endopeptidases
/ chemistry
Protozoan Proteins
/ antagonists & inhibitors
Trypanosoma cruzi
/ drug effects
Molecular Docking Simulation
Cysteine Proteinase Inhibitors
/ chemistry
Molecular Dynamics Simulation
Structure-Activity Relationship
Computer-Aided Design
Drug Design
Humans
Molecular Structure
Trypanocidal Agents
/ pharmacology
Chagas Disease
/ drug therapy
Chagas disease
Cruzipain
computer-aided drug design
targeted covalent inhibitors
triazole derivatives
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
05 Sep 2024
05 Sep 2024
Historique:
received:
03
07
2024
revised:
29
08
2024
accepted:
03
09
2024
medline:
14
9
2024
pubmed:
14
9
2024
entrez:
14
9
2024
Statut:
epublish
Résumé
Cruzipain (CZP), the major cysteine protease present in
Identifiants
pubmed: 39275072
pii: molecules29174224
doi: 10.3390/molecules29174224
pii:
doi:
Substances chimiques
Triazoles
0
Cysteine Endopeptidases
EC 3.4.22.-
Protozoan Proteins
0
cruzipain
EC 3.4.22.51
Cysteine Proteinase Inhibitors
0
Trypanocidal Agents
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET)
ID : 11220200100776CO
Organisme : Secretaría de Ciencia y Técnica (SeCyT-UNC 2023)
ID : 336-202301-00159CB
Organisme : Agencia Nacional de Promoción Científica y Tecnología FONCYT
ID : PICT-2021-I-A-00487