<story><title>‘Virtual Pharmacology’ Advance Tackles Universe of Unknown Drugs</title><url>https://www.ucsf.edu/news/2019/02/413236/virtual-pharmacology-advance-tackles-universe-unknown-drugs</url></story><parent_chain></parent_chain><comment><author>daddylonglegs</author><text>When I see a paper like this one of my first thoughts is &amp;quot;What will Derek Lowe say about this?&amp;quot; He is a chemist in the drug industry and excellent writer. On his blog he regularly tears apart overhyped claims for how software searches for targets and automated synthesis of chemicals are going to find perfect cures for everything at the press of a button. His take on this paper is actually positive, though with some important caveats:&lt;p&gt;&lt;a href=&quot;http:&amp;#x2F;&amp;#x2F;blogs.sciencemag.org&amp;#x2F;pipeline&amp;#x2F;archives&amp;#x2F;2019&amp;#x2F;02&amp;#x2F;11&amp;#x2F;virtual-screening-as-big-as-it-currently-gets&quot; rel=&quot;nofollow&quot;&gt;http:&amp;#x2F;&amp;#x2F;blogs.sciencemag.org&amp;#x2F;pipeline&amp;#x2F;archives&amp;#x2F;2019&amp;#x2F;02&amp;#x2F;11&amp;#x2F;vir...&lt;/a&gt;</text></comment>
<story><title>‘Virtual Pharmacology’ Advance Tackles Universe of Unknown Drugs</title><url>https://www.ucsf.edu/news/2019/02/413236/virtual-pharmacology-advance-tackles-universe-unknown-drugs</url></story><parent_chain></parent_chain><comment><author>roomey</author><text>&amp;quot;The four structures of AmpC determined with the new docking hits are available from the PDB with accession numbers 6DPZ, 6DPY, 6DPX and 6DPT.&amp;quot;&lt;p&gt;Are we in a situation now where, if I have a bad anti-botic resistant infection I can just order these molecules on the off chance that they will help me?&lt;p&gt;Can I order a toxin?&lt;p&gt;Or are these molecules just impractical to use outside of a lab setting</text></comment>