Ensemble Docking as a Tool for the Rational Design of Peptidomimetic

Aminoacyltransferases / antagonists & inhibitors Cysteine Endopeptidases / chemistry Staphylococcus aureus / enzymology Bacterial Proteins / antagonists & inhibitors Molecular Docking Simulation Drug Design Peptidomimetics / chemistry Molecular Dynamics Simulation Anti-Bacterial Agents / pharmacology Enzyme Inhibitors / chemistry Oligopeptides / chemistry
Sortase A Staphylococcus aureus antivirulence drugs ensemble docking multidrug resistance oligopeptide peptidomimetic protein dynamics

Journal

International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791

Informations de publication

Date de publication:
20 Oct 2024
Historique:
received: 27 09 2024
revised: 15 10 2024
accepted: 18 10 2024
medline: 26 10 2024
pubmed: 26 10 2024
entrez: 26 10 2024
Statut: epublish

Résumé

Sortase A (SrtA) of

Identifiants

DOI: 10.3390/ijms252011279 PMID: 39457061
pubmed: 39457061
pii: ijms252011279
doi: 10.3390/ijms252011279
pii:
doi:

Substances chimiques

Aminoacyltransferases EC 2.3.2.-
Cysteine Endopeptidases EC 3.4.22.-
sortase A EC 2.3.2.-
Bacterial Proteins 0
Peptidomimetics 0
Anti-Bacterial Agents 0
Enzyme Inhibitors 0
Oligopeptides 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : Russian Science Foundation
ID : 20-15-00258

Auteurs

Dmitry A Shulga (DA)

Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, 119991 Moscow, Russia.
ORCID: 0000-0001-6001-1295

Konstantin V Kudryavtsev (KV)

Vreden National Medical Research Center of Traumatology and Orthopedics, 195427 St. Petersburg, Russia.
ORCID: 0000-0002-6363-5842

Articles similaires

Vancomycin-associated DRESS demonstrates delay in AST abnormalities.

Ahmed Hussein, Kateri L Schoettinger, Jourdan Hydol-Smith et al.
1.00
Humans Drug Hypersensitivity Syndrome Vancomycin Female Male

Atomic view of photosynthetic metabolite permeability pathways and confinement in synthetic carboxysome shells.

Daipayan Sarkar, Christopher Maffeo, Markus Sutter et al.
1.00
Photosynthesis Ribulose-Bisphosphate Carboxylase Carbon Dioxide Molecular Dynamics Simulation Cyanobacteria

Management of the infected total elbow arthroplasty.

Joaquin Sanchez-Sotelo
1.00
Humans Arthroplasty, Replacement, Elbow Prosthesis-Related Infections Debridement Anti-Bacterial Agents

Decoding the genomic terrain: functional insights into 14 chemosensory proteins in whitefly Bemisia tabaci Asia II-1.

M N Rudra Gouda, Sabtharishi Subramanian
1.00
Animals Hemiptera Insect Proteins Phylogeny Insecticides

Classifications MeSH

questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Transferases › Acyltransferases › Aminoacyltransferases › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Peptide hydrolases › Endopeptidases › Cysteine endopeptidases › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Bactéries › Bactéries à Gram positif › Cocci à Gram positif › Staphylococcaceae › Staphylococcus › Staphylococcus aureus › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines bactériennes › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Techniques d'investigation › Développement de médicament › Découverte de médicament › Conception de médicament › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Peptidomimétiques › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antibactériens › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Ensemble Docking as a Tool for the Rational...
questionsmedicales.fr › Acides aminés, peptides et protéines › Peptides › Oligopeptides › Ensemble Docking as a Tool for the Rational...