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	<title>helmholtz Archives - Pharmacelera | Pushing the limits of computational chemistry</title>
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	<title>helmholtz Archives - Pharmacelera | Pushing the limits of computational chemistry</title>
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		<title>Agreement with Helmholtz Centre for Infection Research</title>
		<link>https://pharmacelera.com/blog/partnerships/agreement-with-helmholtz-centre-for-infection-research/</link>
		
		<dc:creator><![CDATA[Fernando Martín]]></dc:creator>
		<pubDate>Mon, 30 Nov 2020 08:47:47 +0000</pubDate>
				<category><![CDATA[Partnerships]]></category>
		<category><![CDATA[Agreement]]></category>
		<category><![CDATA[drug discovery]]></category>
		<category><![CDATA[helmholtz]]></category>
		<category><![CDATA[PharmScreen]]></category>
		<guid isPermaLink="false">https://new.pharmacelera.com/?p=7377</guid>

					<description><![CDATA[<p>By Melanie Berg &#8211; Nov. 30, 2020 Pharmacelera is proud to announce today, that an agreement was reached with Helmholtz Centre for [&#8230;]</p>
<p>The post <a href="https://pharmacelera.com/blog/partnerships/agreement-with-helmholtz-centre-for-infection-research/">Agreement with Helmholtz Centre for Infection Research</a> appeared first on <a href="https://pharmacelera.com">Pharmacelera | Pushing the limits of computational chemistry</a>.</p>
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									<p>By Melanie Berg &#8211; Nov. 30, 2020</p>								</div>
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									<p><span data-contrast="auto">Pharmacelera is proud to announce today, that </span><span data-contrast="auto">an agreement </span><span data-contrast="auto">was reached with </span><span data-contrast="auto">Helmholtz Centre for Infection Research</span><span data-contrast="auto"> (HZI) </span><span data-contrast="auto">for a collaboration.</span><span data-ccp-props="{"> </span></p><p><span data-ccp-props="{"> </span><span data-contrast="auto">Helmholtz institute for Pharmaceutical Research Saarland (HIPS)</span><span data-contrast="auto">,</span><span data-contrast="auto"> which is a branch of the </span><span data-contrast="auto">H</span><span data-contrast="auto">ZI</span><span data-contrast="auto">,</span><span data-contrast="auto"> will utilize </span><span data-contrast="auto"><strong><a href="https://new.pharmacelera.com/pharmscreen/">PharmScreen</a></strong>®</span><span data-contrast="auto">,</span><span data-contrast="auto"> a field-based </span><span data-contrast="auto">high throughput </span><span data-contrast="auto">virtual screening software package</span><span data-contrast="auto">,</span><span data-contrast="auto"> to </span><span data-contrast="auto">identify hit compounds</span><span data-contrast="auto"> with </span><span data-contrast="auto">wid</span><span data-contrast="auto">er </span><span data-contrast="auto">chemical diversity</span><span data-contrast="auto">.</span></p>								</div>
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																<a href="https://www.helmholtz-hzi.de/en/the-hzi/sites/hips-saarbruecken/about-hips/">
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									<p><span data-contrast="auto">HZI is Germany’s largest academic institution dedicated exclusively to </span><a href="https://www.helmholtz-hzi.de/en/info-centre/glossary/entry/infection/"><span data-contrast="auto">infection</span></a><span data-contrast="auto"> research. In line with its </span><a href="https://www.helmholtz-hzi.de/en/research/mission/"><span data-contrast="auto">mission</span></a><span data-contrast="auto">, the </span><span data-contrast="auto">centre</span><span data-contrast="auto"> develops new strategies for the early detection, prevention, and treatment of infectious diseases. HZI researchers investigate bacterial and viral pathogens of high clinical relevance, elucidate their interactions with the </span><a href="https://www.helmholtz-hzi.de/en/info-centre/glossary/entry/host/"><span data-contrast="auto">host</span></a><span data-contrast="auto">‘s </span><a href="https://www.helmholtz-hzi.de/en/info-centre/glossary/entry/immune-system/"><span data-contrast="auto">immune system</span></a><span data-contrast="auto"> and explore new ways to prevent and combat infections.</span><span data-ccp-props="{"> <br /></span></p><p><em><strong>“I am looking forward to a fruitful collaboration with Pharmacelera”</strong></em><span data-contrast="auto">, </span><span data-contrast="auto">Dr. Mostafa Hamed</span><span data-contrast="auto">, </span><span data-contrast="auto">PostDoc</span><span data-contrast="auto"> at HIPS, </span><span data-contrast="auto">Department of Drug Design and Optimization (DDOP)</span><span data-contrast="auto">,</span><span data-contrast="auto"> said. </span><span data-contrast="auto">His team, </span><span data-contrast="auto">led</span><span data-contrast="auto"> by Prof. Dr. Anna K. H. Hirsch,</span> <span data-contrast="auto">is working on</span><span data-contrast="auto"> a target-based strategy</span><span data-contrast="auto">, </span><span data-contrast="auto">both</span> <span data-contrast="auto">targets which impair vital mechanisms </span><span data-contrast="auto">of</span><span data-contrast="auto"> bacteria</span><span data-contrast="auto">,</span><span data-contrast="auto"> and effectively kill them</span><span data-contrast="auto">,</span><span data-contrast="auto"> and</span><span data-contrast="auto"> targets interfering with pathogenicity and virulence without affecting bacterial viability. The Hirsch group applies a series of established </span><span data-contrast="auto">drug discovery</span><span data-contrast="auto"> strategies, including structure and fragment</span> <span data-contrast="auto">based drug design, classical medicinal chemistry and virtual screening.</span><span data-ccp-props="{"> </span></p><p><span data-contrast="auto">This is where </span><span data-contrast="auto"> PharmScreen®</span> <span data-contrast="auto">plays a key role</span><span data-contrast="auto">. </span><span data-contrast="auto">As t</span><span data-contrast="auto">he</span><span data-contrast="auto"> tool uses a unique and superior <a href="https://new.pharmacelera.com/better-molecular-description/">3D representation of molecules</a> based on electrostatic, steric and hydrophobic interaction fields derived from semi-empirical Quantum-Mechanics (QM) calculations. Such fields describe with high accuracy the factors that determine ligand / receptor interactions. These chemo-type agnostic descriptors allow PharmScreen® identifying candidate molecules with similar </span><span data-contrast="auto">physico</span><span data-contrast="auto">-chemical properties to reference compounds, and different and diverse molecular scaffolds.</span><span data-ccp-props="{"> </span></p><p><span data-ccp-props="{"> </span><em><strong>“This agreement is extremely aligned with Pharmacelera’s</strong></em><span data-contrast="auto"><em><strong> strategy to work with top-notch institutions in the field of drug discovery”</strong></em>, Enric </span><span data-contrast="auto">Gibert</span><span data-contrast="auto">, </span><span data-contrast="auto">Pharmacelera’s</span><span data-contrast="auto"> CEO, comments. <em><strong>“We are delighted </strong></em></span><em><strong>to work with Helmholtz Centre for Infection Research, a world-wide recognized research institution.”</strong></em><span data-ccp-props="{"> </span></p><p><span data-ccp-props="{"> </span></p>								</div>
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		<p>The post <a href="https://pharmacelera.com/blog/partnerships/agreement-with-helmholtz-centre-for-infection-research/">Agreement with Helmholtz Centre for Infection Research</a> appeared first on <a href="https://pharmacelera.com">Pharmacelera | Pushing the limits of computational chemistry</a>.</p>
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