Cargando…

Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA

Our findings reported herein provide support for the benefits of including functional group complexity (FGC) within fragments when screening against protein targets such as Mycobacterium tuberculosis InhA. We show that InhA fragment actives with FGC maintained their binding pose during elaboration....

Descripción completa

Detalles Bibliográficos
Autores principales:	Prati, Federica, Zuccotto, Fabio, Fletcher, Daniel, Convery, Maire A., Fernandez‐Menendez, Raquel, Bates, Robert, Encinas, Lourdes, Zeng, Jingkun, Chung, Chun‐wa, De Dios Anton, Paco, Mendoza‐Losana, Alfonso, Mackenzie, Claire, Green, Simon R., Huggett, Margaret, Barros, David, Wyatt, Paul G., Ray, Peter C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2018
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5915743/ https://www.ncbi.nlm.nih.gov/pubmed/29399991 http://dx.doi.org/10.1002/cmdc.201700774

Ejemplares similares

Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor
por: Martínez-Hoyos, María, et al.
Publicado: (2016)

Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA
por: Zhang, Qianqian, et al.
Publicado: (2022)

Fragment-Based Design of Mycobacterium tuberculosis InhA Inhibitors
por: Sabbah, Mohamad, et al.
Publicado: (2020)

Discovery of a cofactor-independent inhibitor of Mycobacterium tuberculosis InhA
por: Xia, Yi, et al.
Publicado: (2018)

Correction to Fragment-Based Design of Mycobacterium tuberculosis InhA Inhibitors
por: Sabbah, Mohamad, et al.
Publicado: (2020)

InhA inhibitors have activity against non-replicating Mycobacterium tuberculosis
por: Flint, Lindsay, et al.
Publicado: (2020)

Pattern of InhA and KatG mutations in isoniazid monoresistant Mycobacterium tuberculosis isolates
por: Charan, Ashok Singh, et al.
Publicado: (2020)

Clarity with INHindsight: High-Dose Isoniazid for Drug-Resistant Tuberculosis with inhA Mutations
por: Wasserman, Sean, et al.
Publicado: (2020)

In silico study of phytochemicals contained in Brucea javanica in inhibiting the InhA enzyme as antituberculosis
por: Sulistyowaty, Melanny Ika, et al.
Publicado: (2023)

Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations
por: Cohen, Elisangela ML, et al.
Publicado: (2011)

Molecular Dynamics Assisted Mechanistic Study of Isoniazid-Resistance against Mycobacterium tuberculosis InhA
por: Kumar, Vivek, et al.
Publicado: (2015)

The Value of the inhA Mutation Detection in Predicting Ethionamide Resistance Using Melting Curve Technology
por: Song, Yanhua, et al.
Publicado: (2021)

Correlation of inhA mutations and ethionamide susceptibility: Experience from national reference center for tuberculosis
por: Sarin, Rohit, et al.
Publicado: (2021)

Inducing vulnerability to InhA inhibition restores isoniazid susceptibility in drug resistant Mycobacterium tuberculosis
por: Harrison, Gregory A., et al.
Publicado: (2023)

Bacillus anthracis Protease InhA Increases Blood-Brain Barrier Permeability and Contributes to Cerebral Hemorrhages
por: Mukherjee, Dhritiman V., et al.
Publicado: (2011)

Minor Contribution of inhA-15 Mutations to the Rapid Detection of Isoniazid Resistance in Mycobacterium Tuberculosis Isolates
por: Abkar, Roya, et al.
Publicado: (2016)

An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features
por: De Paris, Renata, et al.
Publicado: (2015)

Detection of KatG/inhA Mutation to Guide Isoniazid and Ethionamide Use for Drug-resistant Tuberculosis
por: Namburete, Evangelina
Publicado: (2017)

Anti-tubercular activity and molecular docking studies of indolizine derivatives targeting mycobacterial InhA enzyme
por: Venugopala, Katharigatta N., et al.
Publicado: (2021)

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)

Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations
por: Merget, Benjamin, et al.
Publicado: (2015)

A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model
por: De Paris, Renata, et al.
Publicado: (2018)

InhA1-Mediated Cleavage of the Metalloprotease NprA Allows Bacillus cereus to Escape From Macrophages
por: Haydar, Abbass, et al.
Publicado: (2018)

InhA, the enoyl-thioester reductase from Mycobacterium tuberculosis forms a covalent adduct during catalysis
por: Vögeli, Bastian, et al.
Publicado: (2018)

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)

In Vitro Antimycobacterial Activity and Physicochemical Characterization of Diaryl Ether Triclosan Analogues as Potential InhA Reductase Inhibitors
por: Ibrahim, Tarek S., et al.
Publicado: (2020)

Recent Advances in Anti-Tuberculosis Drug Discovery Based on Hydrazide–Hydrazone and Thiadiazole Derivatives Targeting InhA
por: Teneva, Yoanna, et al.
Publicado: (2023)

New InhA Inhibitors Based on Expanded Triclosan and Di-Triclosan Analogues to Develop a New Treatment for Tuberculosis
por: Chetty, Sarentha, et al.
Publicado: (2021)

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

High Prevalence of inhA Promoter Mutations among Patients with Drug-Resistant Tuberculosis in KwaZulu-Natal, South Africa
por: Niehaus, Abraham J., et al.
Publicado: (2015)

Mutations of rpoB, katG, inhA and ahp genes in rifampicin and isoniazid-resistant Mycobacterium tuberculosis in Kyrgyz Republic
por: Isakova, Jainagul, et al.
Publicado: (2018)

Disruption of key NADH-binding pocket residues of the Mycobacterium tuberculosis InhA affects DD-CoA binding ability
por: Shaw, Daniel J., et al.
Publicado: (2017)

In silico identification of novel chemical compounds with antituberculosis activity for the inhibition of InhA and EthR proteins from Mycobacterium tuberculosis
por: Halder, Sajal Kumar, et al.
Publicado: (2021)

Two vacuolar invertase inhibitors PpINHa and PpINH3 display opposite effects on fruit sugar accumulation in peach
por: Mollah, Md Dulal Ali, et al.
Publicado: (2022)

Development of 1,2,4-Triazole-5-Thione Derivatives as Potential Inhibitors of Enoyl Acyl Carrier Protein Reductase (InhA) in Tuberculosis.
por: Vora, Dhagash, et al.
Publicado: (2019)

Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach
por: EL Haddoumi, Ghyzlane, et al.
Publicado: (2023)

In house reverse membrane hybridisation assay versus GenoType MTBDRplus and their performance to detect mutations in the genes rpoB, katG and inhA
por: Ferreira, Sergio Luiz Montego, et al.
Publicado: (2014)

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)

Molecular Characterization of katG and inhA Mutations by Genotype MTBDRplus Line Probe Assay To Guide Isoniazid and Ethionamide Use for Drug-Resistant Tuberculosis
por: Ranjan, K. P., et al.
Publicado: (2023)

Efficacy and Improved Resistance Potential of a Cofactor-Independent InhA Inhibitor of Mycobacterium tuberculosis in the C3HeB/FeJ Mouse Model
por: Robertson, Gregory T., et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_he8f099j66v3sd9u2bcnpfm96u