The study, reported November 30 in PLoS Computational Biology relates to a class of drugs known as Select Estrogen Receptor Modulators (SERMs), which includes tamoxifen, the most prescribed drug in the treatment of breast cancer.
Unexpected side effects account for one-third of all drug development failures and result in drugs being pulled from the market. Typically drugs are tested using an experimental method which aims to identify off-target proteins that cause side effects. The team in this study, led by Drs. Philip Bourne and Lei Xie, propose a computational modeling approach. If broadly successful the approach could shorten the drug development process and reduce costly recalls.
Rather than considering a single human protein to which a very large number of potential small molecule drugs can bind, Bourne et al. take a single drug molecule and look for how it might bind to as many of the proteins encoded by the human proteome as possible.
The team uses a case study focusing on SERMs to illustrate their technique. They report a previously unidentified protein target for SERMs which is supported by both biochemical and clinical data with known patient outcomes. The identification of a secondary binding site with adverse effects opens the door to changing the drug to maintain binding to the intended target, but to reduce binding to the off-target. This work is just the beginning of the process and experimental validation is continually needed.
By identifying new binding sites the computer analysis may also contribute to repositioning existing drugs to treat completely different diseases from those originally intended. Bourne and Xie are now working in this direction.
Andrew Hyde | alfa
Multi-year study finds 'hotspots' of ammonia over world's major agricultural areas
17.03.2017 | University of Maryland
Diabetes Drug May Improve Bone Fat-induced Defects of Fracture Healing
17.03.2017 | Deutsches Institut für Ernährungsforschung Potsdam-Rehbrücke
The Institute of Semiconductor Technology and the Institute of Physical and Theoretical Chemistry, both members of the Laboratory for Emerging Nanometrology (LENA), at Technische Universität Braunschweig are partners in a new European research project entitled ChipScope, which aims to develop a completely new and extremely small optical microscope capable of observing the interior of living cells in real time. A consortium of 7 partners from 5 countries will tackle this issue with very ambitious objectives during a four-year research program.
To demonstrate the usefulness of this new scientific tool, at the end of the project the developed chip-sized microscope will be used to observe in real-time...
Astronomers from Bonn and Tautenburg in Thuringia (Germany) used the 100-m radio telescope at Effelsberg to observe several galaxy clusters. At the edges of these large accumulations of dark matter, stellar systems (galaxies), hot gas, and charged particles, they found magnetic fields that are exceptionally ordered over distances of many million light years. This makes them the most extended magnetic fields in the universe known so far.
The results will be published on March 22 in the journal „Astronomy & Astrophysics“.
Galaxy clusters are the largest gravitationally bound structures in the universe. With a typical extent of about 10 million light years, i.e. 100 times the...
Researchers at the Goethe University Frankfurt, together with partners from the University of Tübingen in Germany and Queen Mary University as well as Francis Crick Institute from London (UK) have developed a novel technology to decipher the secret ubiquitin code.
Ubiquitin is a small protein that can be linked to other cellular proteins, thereby controlling and modulating their functions. The attachment occurs in many...
In the eternal search for next generation high-efficiency solar cells and LEDs, scientists at Los Alamos National Laboratory and their partners are creating...
Silicon nanosheets are thin, two-dimensional layers with exceptional optoelectronic properties very similar to those of graphene. Albeit, the nanosheets are less stable. Now researchers at the Technical University of Munich (TUM) have, for the first time ever, produced a composite material combining silicon nanosheets and a polymer that is both UV-resistant and easy to process. This brings the scientists a significant step closer to industrial applications like flexible displays and photosensors.
Silicon nanosheets are thin, two-dimensional layers with exceptional optoelectronic properties very similar to those of graphene. Albeit, the nanosheets are...
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