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X-ray screening identifies compounds that block a major coronavirus enzyme
A new screening study has shown that three natural compounds present in foods like green tea may be candidates for drugs that combat the coronavirus.
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X-ray Crystallography
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A multi-step analysis including GCI reveals novel insight into LPS translocation
Antibiotic resistance is one of the key health challenges of the future. In a new study, researchers have carried out a multi-step analysis to deliver insights into translocation of the hydrophobic and hydrophilic portions of the large lipopolysaccharide molecules through the outer membrane of Neisseria gonorrhoeae. This article summarises their…
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New cryo-EM method reveals insight into blood disorders
A molecular cage, developed for use during cryo-EM, has provided researchers with new insights into a key cancer protein.
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Masitinib found to be an effective COVID-19 treatment in mouse model
Scientists from the University of Chicago discovered that the drug masitinib inhibits the replication of SARS-CoV-2 in mice.
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Microcrystal electron diffraction could advance drug development
UK researchers have shown how microcrystal electron diffraction (MicroED) could obtain the structures of potential pharmaceuticals.
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Why some screening hits are a PAIN
A major challenge during high-throughput and fragment screening is the potential for identifying ‘frequent hitters’ – compounds that affect unrelated targets. Matthew Lloyd from the University of Bath explains why these hits can arise during drug discovery and how machine learning could be the answer to identifying these compounds.
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The use of biophysical methods in the hit-to-lead process
Optimisation of a hit towards a lead happens in a variety of ways, as a lead needs to meet various criteria such as activity, affinity to the target, selectivity, solubility, permeability or metabolic stability to become a promising candidate. A balance between in vitro profiles and pharmacokinetic attributes has to…
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Researchers make key discovery involved in re-engineering of peptides
A team has characterised a key part of the peptide synthesis process, showing that only the main building block needs to be changed for re-engineering.
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Structure of PLEKHA7 protein domain imaged, presenting cancer drug target
A range of imaging and computational techniques were used by researchers to discover the structure of the PH domain of PLEKHA7.
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Fragment screening used to identify potential SARS-CoV-2 antivirals
Researchers have used fragment screening alongside computational docking to reveal 20 hit antiviral compounds against SARS-CoV-2.
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Revealed structure of enzyme could progress cancer research
Researchers have elucidated the 3D structure of the Taspase 1 enzyme, known to be involved in a range of cancers.
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Researchers reveal how key enzyme APT2 works in cells
Using X-ray crystallography and simulations, researchers have shown that APT2 is a hybrid between a lipid carrier protein and a hydrolase.
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Structure of protein that triggers neurodegeneration isolated and analysed
Using X-ray crystallography and cryo-electron microscopy, researchers have elucidated the structure of the SARM1 protein, a target for neurodegeneration.
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N439K variant of SARS-CoV-2 is resistant to some neutralising antibodies, shows study
The N439K mutation improves the interaction between SARS-CoV-2 Spike protein and the viral receptor ACE2 and eludes antibody-mediated immunity, say investigators.
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Researchers discover mechanism behind severe cases of G6PD deficiency
Researchers have revealed how the most severe cases of G6PD deficiency occur, which could help scientists design new drugs for the disease.