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<h2 class="element-invisible">You are here</h2><div class="breadcrumb"><a href="/">Home</a> » <a href="/news-events">News & Events</a> » <a href="/news-events/nih-research-matters">NIH Research Matters</a></div> <div class="l-region l-region--section-header">
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<p class="publishdate"><span property="dc:date" datatype="xsd:dateTime" content="2017-10-31T00:00:00-04:00" class="date-display-single">October 31, 2017</span></p><div class='syndicate'><h1>Structure guides design of dopamine receptor binding compound </h1><div class="callout callout-with-border"><h3>At a Glance</h3>
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<ul>
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<li>Scientists determined the structure of an important brain receptor for dopamine and created a compound to activate it specifically.</li>
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<li>The approach could help guide the development of more effective psychiatric drugs with fewer side effects.</li>
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</ul></div><div class="media-float-right"><div class="ds-1col file file-image file-image-jpeg view-mode-floated_media clearfix">
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<picture title="Dopamine D4 receptor">
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<!--[if IE 9]><video style="display: none;"><![endif]-->
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<source srcset="https://www.nih.gov/sites/default/files/styles/floated_media_breakpoint-large/public/news-events/research-matters/2017/20171031-dopamine-receptor_0.jpg?itok=N3xs2CKT&timestamp=1509450266 1x" media="screen and (min-width: 960px)" />
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<source srcset="https://www.nih.gov/sites/default/files/styles/floated_media_breakpoint-medium/public/news-events/research-matters/2017/20171031-dopamine-receptor_0.jpg?itok=3nyiDK_Q&timestamp=1509450266 1x" media="screen and (min-width: 800px)" />
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<source srcset="https://www.nih.gov/sites/default/files/styles/floated_media_breakpoint-medium-small/public/news-events/research-matters/2017/20171031-dopamine-receptor_0.jpg?itok=-yTQ3Ix_&timestamp=1509450266 1x" media="screen and (min-width: 600px)" />
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<source srcset="https://www.nih.gov/sites/default/files/styles/floated_media_breakpoint-small/public/news-events/research-matters/2017/20171031-dopamine-receptor_0.jpg?itok=GaJqJ8RH&timestamp=1509450266 1x" media="screen and (min-width: 480px)" />
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<source srcset="https://www.nih.gov/sites/default/files/styles/floated_media_breakpoint-tiny/public/news-events/research-matters/2017/20171031-dopamine-receptor_0.jpg?itok=LoGi69YM&timestamp=1509450266 1x" media="screen and (min-width: 0)" />
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<!--[if IE 9]></video><![endif]-->
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<img src="https://www.nih.gov/sites/default/files/styles/floated_media_breakpoint-medium/public/news-events/research-matters/2017/20171031-dopamine-receptor_0.jpg?itok=3nyiDK_Q&timestamp=1509450266" alt="Structure of dopamine D4 receptor" title="Dopamine D4 receptor" />
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</picture><span class="caption">Researchers determined the structure of a specific dopamine receptor bound to the drug nemonapride, shown in pink. The red spheres are water molecules. </span><span class="credit">UNC / UCSF</span></div>
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</div><p>Dopamine is a chemical messenger produced in the brain. It plays a role in regions of the brain that regulate movement, emotion, motivation, and feelings of pleasure. Dopamine is also involved in different mental health conditions, such as schizophrenia, Parkinson’s disease, and attention deficit disorder.</p>
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||
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<p>Many drug treatments for mental health conditions target dopamine receptors. However, there are five different types of dopamine receptors, called D<sub>1</sub>, D<sub>2</sub>, D<sub>3</sub>, D<sub>4</sub>, and D<sub>5</sub>. Current medications often act on more than one. Because these receptors can have different functions in the brain, drugs that don’t bind specifically to just one can cause unintended side effects. A better understanding of the structural differences between dopamine receptors will help researchers create more targeted drugs.</p>
|
||
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||
<p>A research team led by Dr. Bryan L. Roth at the University of North Carolina at Chapel Hill and Dr. Brian K. Shoichet at the University of California, San Francisco, set out to determine the structure of the human D<sub>4</sub> dopamine receptor and create a compound that binds specifically to it. Their work was funded by NIH’s National Institute of Mental Health (NIMH) and National Institute of General Medical Sciences (NIGMS). The study was published in <em>Science</em> on October 20, 2017.</p>
|
||
|
||
<p>Using X-ray crystallography, the researchers mapped a high-resolution structure of the D<sub>4</sub> dopamine receptor bound to an anti-psychotic drug called nemonapride.</p>
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<div class="media-float-right"><div class="media media-element-container media-shadowbox_sidebar"><div class="ds-1col file file-video file-video-youtube view-mode-shadowbox_sidebar clearfix">
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<div class="sb-image sb-individual"><a href="https://www.youtube.com/embed/ESkOCZHArnk?autoplay=1" rel="shadowbox; width=640; height=360" title="D4 dopamine receptor drug discovery."><img class="image-video_sidebar" typeof="foaf:Image" src="https://www.nih.gov/sites/default/files/styles/video_sidebar/public/media-youtube/ESkOCZHArnk.jpg?itok=Sf1cY1-G" width="640" height="427" alt="D4 dopamine receptor drug discovery." title="D4 dopamine receptor drug discovery." /></a></div><p class="caption">D4 dopamine receptor drug discovery.</p></div>
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</div></div>
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||
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||
<p>Using this structural information, the team computationally screened a virtual library of molecules for ones that might fit in the same binding pocket as nemonapride. They then tested the 10 highest-scoring candidates in the laboratory. These 10 molecules bound the D<sub>4 </sub>receptor weakly. However, the team's analysis yielded insights into how the drug binds to the D<sub>4 </sub>dopamine receptor and suggested other compounds to test.</p>
|
||
|
||
<p>Based on computational models and laboratory tests of hundreds of compounds, the team created a compound, called UCSF924, that strongly binds to the D<sub>4</sub> receptor but not the other four receptors. Since dopamine receptors are a type of G protein–coupled receptor (GPCR), the team tested UCSF924 on 320 GPCRs to rule out off-target effects. None were activated by the drug.</p>
|
||
|
||
<p>“We now have the ability to get a crystal-clear image of these receptors to see details like never before,” Roth says. “Seeing these details allowed us to create a compound that tightly binds only to one kind of receptor. Our ultimate goal is to avoid so-called ‘scattershot drugs’ that hit many unwanted receptors and cause serious and potentially fatal side effects.”</p>
|
||
|
||
<p>“Our computational modeling capabilities allowed us to virtually screen over 600,000 compounds much faster than traditional screening methods and create a hierarchy of compounds that potentially bind only to the D<sub>4</sub> dopamine receptor,” Shoichet says.</p>
|
||
|
||
<p>The researchers plan to test UCSF924 in animal models to see how targeting the D<sub>4 </sub>receptor alone alters brain function. They are also making the compound openly available to other researchers for use in their experiments.</p>
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<p>—by Harrison Wein, Ph.D.</p></div><h2 class="label-above">Related Links</h2><ul class="spaced print-urls"><li><a href="https://www.nih.gov/news-events/nih-research-matters/cannabinoid-receptor-structure-revealed" target="_top">Cannabinoid Receptor Structure Revealed</a></li><li><a href="https://www.nih.gov/news-events/nih-research-matters/high-resolution-imaging-technique-may-advance-drug-design" target="_top">High-Resolution Imaging Technique May Advance Drug Design</a></li><li><a href="https://www.nih.gov/news-events/nih-research-matters/structural-states-brain-receptor-revealed" target="_top">Structural States of a Brain Receptor Revealed</a></li><li><a href="https://www.nih.gov/news-events/nih-research-matters/structure-receptor-involved-brain-disorders" target="_top">Structure of Receptor Involved in Brain Disorders</a></li><li><a href="https://www.nih.gov/news-events/nih-research-matters/drug-abuse-obesity-share-brain-mechanism" target="_top">Drug Abuse and Obesity Share Brain Mechanism</a></li><li><a href="https://www.nimh.nih.gov/health/topics/mental-health-medications/index.shtml#part_149866" target="_top">Antipsychotics</a></li></ul><p class="footnote"><strong class="label-inline">References: </strong><a href="https://www.ncbi.nlm.nih.gov/pubmed/29051383">D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.</a> Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang XP, Dror RO, Shoichet BK, Roth BL. <em>Science</em>. 2017 Oct 20;358(6361):381-386. doi: 10.1126/science.aan5468. PMID: 29051383.</p><p class="footnote"><strong class="label-inline">Funding: </strong>NIH’s National Institute of Mental Health (NIMH) and National Institute of General Medical Sciences (NIGMS); and Michael Hooker Chair for Protein Therapeutics and Translational Proteomics.</p>
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