Search Results - "Thomas, Sherine E."
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RNA structure mediated thermoregulation: What can we learn from plants?
Published in Frontiers in plant science (17-08-2022)“…RNA molecules have the capacity to form a multitude of distinct secondary and tertiary structures, but only the most energetically favorable conformations are…”
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Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches
Published in Journal of medicinal chemistry (08-08-2019)“…Mycobacterium abscessus (Mab) is a rapidly growing species of multidrug-resistant nontuberculous mycobacteria that has emerged as a growing threat to…”
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3
Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification
Published in Nucleic acids research (20-08-2020)“…Abstract Translational frameshift errors are often deleterious to the synthesis of functional proteins and could therefore be promoted therapeutically to kill…”
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4
Predicted structural mimicry of spike receptor-binding motifs from highly pathogenic human coronaviruses
Published in Computational and structural biotechnology journal (01-01-2021)“…[Display omitted] •Potential coronavirus spike protein mimicry revealed by structural comparison.•Human and non-human protein potential interactions with virus…”
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Mycobacterial genomics and structural bioinformatics: opportunities and challenges in drug discovery
Published in Emerging microbes & infections (01-01-2019)“…Of the more than 190 distinct species of Mycobacterium genus, many are economically and clinically important pathogens of humans or animals. Among those…”
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A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Published in Computational and structural biotechnology journal (01-01-2021)“…[Display omitted] The L-arginine biosynthesis pathway consists of eight enzymes that catalyse the conversion of L-glutamate to L-arginine. Arginine auxotrophs…”
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Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design
Published in Frontiers in molecular biosciences (30-05-2022)“…Anti-microbial resistance is a rising global healthcare concern that needs urgent attention as growing number of infections become difficult to treat with the…”
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8
Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs
Published in Nature (London) (27-01-2022)“…The DNA-dependent protein kinase catalytic subunit (DNA-PKcs) has a central role in non-homologous end joining, one of the two main pathways that detect and…”
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Structure-guided, target-based drug discovery - exploiting genome information from HIV to mycobacterial infections
Published in Postępy biochemii (01-01-2016)“…The use of protein crystallography in structure-guided drug discovery allows identification of potential inhibitor-binding sites and optimisation of…”
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10
Arginine-deprivation–induced oxidative damage sterilizes Mycobacterium tuberculosis
Published in Proceedings of the National Academy of Sciences - PNAS (25-09-2018)“…Reactive oxygen species (ROS)-mediated oxidative stress and DNA damage have recently been recognized as contributing to the efficacy of most bactericidal…”
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Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew
Published in Journal of molecular biology (18-08-2017)“…Interest in applications of protein crystallography to medicine was evident, as the first high-resolution structures emerged in the 50s and 60s. In Cambridge,…”
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12
Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (17-06-2019)“…Structure-guided drug discovery emerged in the 1970s and 1980s, stimulated by the three-dimensional structures of protein targets that became available, mainly…”
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13
A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling
Published in Angewandte Chemie International Edition (09-09-2024)“…Ligand binding hotspots are regions of protein surfaces that form particularly favourable interactions with small molecule pharmacophores. Targeting…”
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A Fragment‐Based Competitive 19F LB‐NMR Platform For Hotspot‐Directed Ligand Profiling
Published in Angewandte Chemie International Edition (09-09-2024)“…Ligand binding hotspots are regions of protein surfaces that form particularly favourable interactions with small molecule pharmacophores. Targeting…”
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15
Genomes, structural biology and drug discovery: combating the impacts of mutations in genetic disease and antibiotic resistance
Published in Biochemical Society transactions (15-04-2017)“…For over four decades structural biology has been used to understand the mechanisms of disease, and structure-guided approaches have demonstrated clearly that…”
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SARS-CoV-2 3D database: understanding the coronavirus proteome and evaluating possible drug targets
Published in Briefings in bioinformatics (22-03-2021)“…Abstract The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a rapidly growing infectious disease, widely spread with high mortality rates…”
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Structural insights into the EthR-DNA interaction using native mass spectrometry
Published in Chemical communications (Cambridge, England) (23-03-2017)“…EthR is a transcriptional repressor that increases Mycobacterium tuberculosis resistance to ethionamide. In this study, the EthR-DNA interaction has been…”
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Fragment Screening against the EthR–DNA Interaction by Native Mass Spectrometry
Published in Angewandte Chemie International Edition (19-06-2017)“…Native nanoelectrospray ionization mass spectrometry is an underutilized technique for fragment screening. In this study, the first demonstration is provided…”
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A Fragment‐Based Competitive 19F LB‐NMR Platform For Hotspot‐Directed Ligand Profiling
Published in Angewandte Chemie (09-09-2024)“…Ligand binding hotspots are regions of protein surfaces that form particularly favourable interactions with small molecule pharmacophores. Targeting…”
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20
Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach
Published in ACS infectious diseases (11-02-2022)“…Mycobacterium abscessus (Mab) has emerged as a challenging threat to individuals with cystic fibrosis. Infections caused by this pathogen are often impossible…”
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