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		<title>Computer-designed acridine compounds show predicted binding to breast cancer estrogen receptor</title>
		<link>https://bioengineer.org/computer-designed-acridine-compounds-show-predicted-binding-to-breast-cancer-estrogen-receptor/</link>
		
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		<pubDate>Sat, 24 Oct 2026 18:15:43 +0000</pubDate>
				<category><![CDATA[Chemistry]]></category>
		<category><![CDATA[9-anilinoacridine]]></category>
		<category><![CDATA[ADMET prediction]]></category>
		<category><![CDATA[Breast Cancer]]></category>
		<category><![CDATA[Computational chemistry]]></category>
		<category><![CDATA[Drug design]]></category>
		<category><![CDATA[endocrine resistance]]></category>
		<category><![CDATA[estrogen receptor alpha]]></category>
		<category><![CDATA[MM/GBSA]]></category>
		<category><![CDATA[molecular docking]]></category>
		<category><![CDATA[Molecular dynamics simulation]]></category>
		<category><![CDATA[Schrödinger Glide]]></category>
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					<description><![CDATA[An entirely computational study reports that three designed 9-anilinoacridine derivatives show favourable predicted binding to estrogen receptor-alpha, with compound II(f) prioritized on the basis of MM-GBSA energetics and molecular dynamics, though no compounds have yet been synthesized or experimentally tested.]]></description>
		
		
		
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