Cargando…

Substrate Fragmentation for the Design of M. tuberculosis CYP121 Inhibitors

The cyclo‐dipeptide substrates of the essential M. tuberculosis (Mtb) enzyme CYP121 were deconstructed into their component fragments and screened against the enzyme. A number of hits were identified, one of which exhibited an unexpected inhibitor‐like binding mode. The inhibitory pharmacophore was...

Descripción completa

Detalles Bibliográficos
Autores principales:	Kavanagh, Madeline E., Gray, Janine L., Gilbert, Sophie H., Coyne, Anthony G., McLean, Kirsty J., Davis, Holly J., Munro, Andrew W., Abell, Chris
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2016
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5026067/ https://www.ncbi.nlm.nih.gov/pubmed/27432475 http://dx.doi.org/10.1002/cmdc.201600248

Ejemplares similares

Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors
por: Kavanagh, Madeline E., et al.
Publicado: (2016)

Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121
por: Hudson, Sean A., et al.
Publicado: (2013)

Biofragments: An Approach towards Predicting Protein Function Using Biologically Related Fragments and its Application to Mycobacterium tuberculosis CYP126
por: Hudson, Sean A, et al.
Publicado: (2014)

Design and Synthesis of Imidazole and Triazole Pyrazoles as Mycobacterium Tuberculosis CYP121A1 Inhibitors
por: Kishk, Safaa M., et al.
Publicado: (2019)

A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen)
por: Frederickson, Martyn, et al.
Publicado: (2022)

Synthesis and biological evaluation of novel cYY analogues targeting Mycobacterium tuberculosis CYP121A1
por: Kishk, Safaa M., et al.
Publicado: (2019)

Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1
por: Chenge, Jude T., et al.
Publicado: (2017)

Structural characterization of CYP144A1 – a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis
por: Chenge, Jude, et al.
Publicado: (2016)

(19)F-NMR reveals substrate specificity of CYP121A1 in Mycobacterium tuberculosis
por: Campomizzi, Christopher S., et al.
Publicado: (2021)

Molecular docking of azole drugs and their analogs on CYP121 of Mycobacterium tuberculosis
por: Sundaramurthi, Jagadish Chandrabose, et al.
Publicado: (2011)

Glycosylated Flavonoid Compounds as Potent CYP121 Inhibitors of Mycobacterium tuberculosis
por: Bajrai, Leena Hussein, et al.
Publicado: (2022)

Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation
por: Taban, Ismail M., et al.
Publicado: (2017)

Surface hydrophobics mediate functional dimerization of CYP121A1 of Mycobacterium tuberculosis
por: Kumar, Amit, et al.
Publicado: (2021)

Structure‐Activity Relationship and Mode‐Of‐Action Studies Highlight 1‐(4‐Biphenylylmethyl)‐1H‐imidazole‐Derived Small Molecules as Potent CYP121 Inhibitors
por: Walter, Isabell, et al.
Publicado: (2021)

Synthesis, biological evaluation and computational studies of pyrazole derivatives as Mycobacterium tuberculosis CYP121A1 inhibitors
por: Alshabani, Lama A., et al.
Publicado: (2022)

CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering
por: Bracco, Paula, et al.
Publicado: (2020)

QSAR Modeling and Molecular Docking Analysis of Some Active Compounds against Mycobacterium tuberculosis Receptor (Mtb CYP121)
por: Adeniji, Shola Elijah, et al.
Publicado: (2018)

Selective Targeting of the TPX2 Site of Importin-α Using Fragment-Based Ligand Design
por: Holvey, Rhian S, et al.
Publicado: (2015)

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

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

Using a Fragment-Based Approach To Target Protein–Protein Interactions
por: Scott, Duncan E, et al.
Publicado: (2013)

Fragment-Based Approach to Targeting Inosine-5′-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis
por: Trapero, Ana, et al.
Publicado: (2018)

Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus
por: Girvan, Hazel M., et al.
Publicado: (2018)

Small-Molecule Inhibitors That Target Protein–Protein Interactions in the RAD51 Family of Recombinases
por: Scott, Duncan E, et al.
Publicado: (2015)

Half-lives of $^{121}$Cs and $^{121}$In isomers
por: Scheidemann, Ø, et al.
Publicado: (1974)

Identification of 121 variants of honey bee Vitellogenin protein sequences with structural differences at functional sites
por: Leipart, Vilde, et al.
Publicado: (2022)

Memorandum 121
por: Barloutaud, R
Publicado: (1978)

Expression, Purification, and Biochemical Characterization of the Flavocytochrome P450 CYP505A30 from Myceliophthora thermophila
por: Baker, George J., et al.
Publicado: (2017)

The decay of /sup 121/Xe (/sup 121/I deduced levels)
por: Münnich, F, et al.
Publicado: (1972)

Mechanistic Insights into the Regio‐ and Stereoselectivities of Testosterone and Dihydrotestosterone Hydroxylation Catalyzed by CYP3A4 and CYP19A1
por: Li, Junhao, et al.
Publicado: (2020)

The decay of $^{121}$Xe
por: Münnich, F, et al.
Publicado: (1972)

121st International School of Physics "Enrico Fermi" : Nuclear Collisions from the Mean-field into the Fragmentation Regime
Publicado: (1989)

Comparative Analysis, Structural Insights, and Substrate/Drug Interaction of CYP128A1 in Mycobacterium tuberculosis
por: Ngcobo, Nokwanda Samantha, et al.
Publicado: (2020)

Substrate specificity of the cypemycin decarboxylase CypD
por: Ding, Wei, et al.
Publicado: (2018)

121st LHCC Meeting
Publicado: (2015)

121st SPSC Meeting
Publicado: (2016)

Letter no. 77 - Letter no. 121
Publicado: (1987)

Strength of Axial Water Ligation in Substrate-Free Cytochrome P450s Is Isoform Dependent
por: Conner, Kip P., et al.
Publicado: (2014)

Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange
por: Huang, Hsiao-Ling, et al.
Publicado: (2016)

Non-yrast level structure of $^{121}$Xe via beta decay of $^{121m + g}$Cs
por: Genevey, J, et al.
Publicado: (1991)

Cannot write session to /tmp/vufind_sessions/sess_15esmsddhhmh8fesa7lairn150