Using only computers, a research team at Uppsala University in Sweden has managed to reveal both the structure and the function of a newly discovered enzyme from the most dangerous malaria parasite, Plasmodium falciparum. All that was needed was the amino acid sequence of the enzyme. The findings may represent a breakthrough for future pharmaceutical research.
The research was carried out within the framework of a project (RAPID) at the Uppsala University Center for Structural Biology, Medical Chemistry, and Computer Chemistry, which was established last year and is directed by Professor Alwyn Jones. The aim is to develop drugs for some of the most severe and widely spread diseases in the world, such as malaria and TB. The results, which recently came out as an “accelerated publication” in the journal Biochemistry, are the work of Professor Johan Åqvist and doctoral student Sinisa Bjelic.
“The enzyme we studied is a new type, with previously unknown catalyst groups. This made it especially interesting as a target molecule for new drugs. Using only computer calculations, we succeeded in revealing both what it looks like and how it functions. It’s the first time anybody ever did that,” says Johan Åqvist.
Anneli Waara | alfa
Study shines light on brain cells that coordinate movement
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An international team of scientists has proposed a new multi-disciplinary approach in which an array of new technologies will allow us to map biodiversity and the risks that wildlife is facing at the scale of whole landscapes. The findings are published in Nature Ecology and Evolution. This international research is led by the Kunming Institute of Zoology from China, University of East Anglia, University of Leicester and the Leibniz Institute for Zoo and Wildlife Research.
Using a combination of satellite and ground data, the team proposes that it is now possible to map biodiversity with an accuracy that has not been previously...
Heatwaves in the Arctic, longer periods of vegetation in Europe, severe floods in West Africa – starting in 2021, scientists want to explore the emissions of the greenhouse gas methane with the German-French satellite MERLIN. This is made possible by a new robust laser system of the Fraunhofer Institute for Laser Technology ILT in Aachen, which achieves unprecedented measurement accuracy.
Methane is primarily the result of the decomposition of organic matter. The gas has a 25 times greater warming potential than carbon dioxide, but is not as...
Hydrogen is regarded as the energy source of the future: It is produced with solar power and can be used to generate heat and electricity in fuel cells. Empa researchers have now succeeded in decoding the movement of hydrogen ions in crystals – a key step towards more efficient energy conversion in the hydrogen industry of tomorrow.
As charge carriers, electrons and ions play the leading role in electrochemical energy storage devices and converters such as batteries and fuel cells. Proton...
Scientists from the Excellence Cluster Universe at the Ludwig-Maximilians-Universität Munich have establised "Cosmowebportal", a unique data centre for cosmological simulations located at the Leibniz Supercomputing Centre (LRZ) of the Bavarian Academy of Sciences. The complete results of a series of large hydrodynamical cosmological simulations are available, with data volumes typically exceeding several hundred terabytes. Scientists worldwide can interactively explore these complex simulations via a web interface and directly access the results.
With current telescopes, scientists can observe our Universe’s galaxies and galaxy clusters and their distribution along an invisible cosmic web. From the...
Temperature measurements possible even on the smallest scale / Molecular ruby for use in material sciences, biology, and medicine
Chemists at Johannes Gutenberg University Mainz (JGU) in cooperation with researchers of the German Federal Institute for Materials Research and Testing (BAM)...
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