Cargando…

Structure-based identification of novel inhibitors targeting the enoyl-ACP reductase enzyme of Acinetobacter baumannii

Acinetobacter baumannii is a Gram-negative multidrug-resistant bacterial pathogen primarily associated with nosocomial infections resulting in increased morbidity and mortality in adults and infants, especially in sub-Saharan Africa where the clinical burden is high. New therapeutics are needed to t...

Descripción completa

Detalles Bibliográficos
Autores principales:	Khan, Shama, Madhi, Shabir A., Olwagen, Courtney
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694131/ https://www.ncbi.nlm.nih.gov/pubmed/38044353 http://dx.doi.org/10.1038/s41598-023-48696-z

Ejemplares similares

Pyrrolyl Pyrazoline Carbaldehydes as Enoyl-ACP Reductase Inhibitors: Design, Synthesis and Antitubercular Activity
por: Dixit, Sheshagiri R., et al.
Publicado: (2017)

Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme
por: Martinelli, Leonardo K. B., et al.
Publicado: (2017)

Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases
por: Cross, Emily M., et al.
Publicado: (2021)

Correlating drug–target kinetics and in vivo pharmacodynamics: long residence time inhibitors of the FabI enoyl-ACP reductase
por: Daryaee, Fereidoon, et al.
Publicado: (2016)

QSAR and Molecular Docking Studies of Oxadiazole-Ligated Pyrrole Derivatives as Enoyl-ACP (CoA) Reductase Inhibitors
por: Asgaonkar, Kalyani D., et al.
Publicado: (2014)

In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
por: Pinzi, Luca, et al.
Publicado: (2019)

Determination of the Crystal Structure and Active Residues of FabV, the Enoyl-ACP Reductase from Xanthomonas oryzae
por: Li, He, et al.
Publicado: (2011)

Unsaturated fatty acid synthesis in Enterococcus faecalis requires a specific enoyl‐ACP reductase
por: Dong, Huijuan, et al.
Publicado: (2022)

Pharmacophore and Molecular Docking Guided 3D-QSAR Study of Bacterial Enoyl-ACP Reductase (FabI) Inhibitors
por: Lu, Xiaoyun, et al.
Publicado: (2012)

A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA
por: Li, Huei-Jiun, et al.
Publicado: (2014)

Observed crowding effects on Mycobacterium tuberculosis 2-trans-enoyl-ACP (CoA) reductase enzyme activity are not due to excluded volume only
por: Rotta, Mariane, et al.
Publicado: (2017)

Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors
por: da Silva Lima, Camilo Henrique, et al.
Publicado: (2015)

Synthesis and Antimicrobial Activity Screening of Piperazines Bearing N,N′-Bis(1,3,4-thiadiazole) Moiety as Probable Enoyl-ACP Reductase Inhibitors
por: Omar, Alaa Z., et al.
Publicado: (2022)

Deciphering the Binding Interactions between Acinetobacter baumannii ACP and β-ketoacyl ACP Synthase III to Improve Antibiotic Targeting Using NMR Spectroscopy
por: Choi, Sungjae, et al.
Publicado: (2021)

In vivo evaluation of Clostridioides difficile enoyl-ACP reductase II (FabK) Inhibition by phenylimidazole unveils a promising narrow-spectrum antimicrobial strategy
por: Dureja, Chetna, et al.
Publicado: (2023)

Metagenomic sequencing of post-mortem tissue samples for the identification of pathogens associated with neonatal deaths
por: Baillie, Vicky L., et al.
Publicado: (2023)

Synthesis, Molecular Docking Study, and Biological Evaluation of New 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-N’-(2-(substituted)acetyl)benzohydrazides as Dual Enoyl ACP Reductase and DHFR Enzyme Inhibitors
por: Mahnashi, Mater H., et al.
Publicado: (2023)

Identification of potential inhibitor targeting enoyl-acyl carrier protein reductase (InhA) in Mycobacterium tuberculosis: a computational approach
por: Shanthi, V., et al.
Publicado: (2013)

Identification of Novel Inhibitor of Enoyl-Acyl Carrier Protein Reductase (InhA) Enzyme in Mycobacterium tuberculosis from Plant-Derived Metabolites: An In Silico Study
por: Singh, Kratika, et al.
Publicado: (2022)

Targeting of the Essential acpP, ftsZ, and rne Genes in Carbapenem-Resistant Acinetobacter baumannii by Antisense PNA Precision Antibacterials
por: Nejad, Alireza Japoni, et al.
Publicado: (2021)

Performance of the Biomark HD real-time qPCR System (Fluidigm) for the detection of nasopharyngeal bacterial pathogens and Streptococcus pneumoniae typing
por: Olwagen, Courtney P., et al.
Publicado: (2019)

Comparison of traditional culture and molecular qPCR for detection of simultaneous carriage of multiple pneumococcal serotypes in African children
por: Olwagen, Courtney P., et al.
Publicado: (2017)

Evaluation of Enoyl-Acyl Carrier Protein Reductase Inhibitors as Pseudomonas aeruginosa Quorum-Quenching Reagents
por: Yang, Liang, et al.
Publicado: (2010)

Enzyme Mechanism and Slow-Onset Inhibition of Plasmodium falciparum Enoyl-Acyl Carrier Protein Reductase by an Inorganic Complex
por: de Medeiros, Patrícia Soares de Maria, et al.
Publicado: (2011)

Expression, purification and preliminary crystallographic analysis of the Toxoplasma gondii enoyl reductase
por: Muench, Stephen P., et al.
Publicado: (2006)

Bacterial Enoyl-Reductases: The Ever-Growing List of Fabs, Their Mechanisms and Inhibition
por: Hopf, Fernanda S. M., et al.
Publicado: (2022)

1233. Identification of Novel Inhibitors of Clostridioides difficile Enoyl-Reductase II (FabK) by High-Throughput Virtual and Experimental Screening
por: Wahrmund, Rebecca D, et al.
Publicado: (2020)

Biophysical and structural studies reveal marginal stability of a crucial hydrocarbon biosynthetic enzyme acyl ACP reductase
por: Sharma, Ashima, et al.
Publicado: (2021)

Delineating the Plausible Molecular Vaccine Candidates and Drug Targets of Multidrug-Resistant Acinetobacter baumannii
por: Mujawar, Shama, et al.
Publicado: (2019)

Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii
por: Powers, Rachel A., et al.
Publicado: (2014)

A novel circuit overrides Adr 1p control during expression of Saccharomyces cerevisiae 2-trans-enoyl-ACP reductase Etr 1p of mitochondrial type 2 fatty acid synthase
por: Gurvitz, Aner
Publicado: (2009)

Diaminoquinazoline MMV675968 from Pathogen Box inhibits Acinetobacter baumannii growth through targeting of dihydrofolate reductase
por: Songsungthong, Warangkhana, et al.
Publicado: (2019)

Draft Genome Sequences of Three Human Pathogenic Acinetobacter baumannii Strains
por: Madhi, Masoumeh, et al.
Publicado: (2019)

Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-acyl-ACP Reductase from Pseudomonas aeruginosa
por: Cukier, Cyprian D., et al.
Publicado: (2013)

Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate
por: Si, Yunlong, et al.
Publicado: (2019)

Structure of diaminohydroxyphosphoribosylaminopyrimidine deaminase/5-amino-6-(5-phosphoribosylamino)uracil reductase from Acinetobacter baumannii
por: Dawson, Alice, et al.
Publicado: (2013)

Cloning of the pks3 gene of Aurantiochytrium limacinum and functional study of the 3-ketoacyl-ACP reductase and dehydratase enzyme domains
por: Liu, Zhu, et al.
Publicado: (2018)

Tackling Acinetobacter baumannii
por: Granata, Guido, et al.
Publicado: (2023)

Identification of Novel Regulatory Small RNAs in Acinetobacter baumannii
por: Sharma, Rajnikant, et al.
Publicado: (2014)

Identification of genes essential for pellicle formation in Acinetobacter baumannii
por: Giles, Sarah K., et al.
Publicado: (2015)

Cannot write session to /tmp/vufind_sessions/sess_akcv0a7os75qdccgho2m6vuujd