<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Bapat, S.</style></author><author><style face="normal" font="default" size="100%">Viswanadh, N.</style></author><author><style face="normal" font="default" size="100%">Mujahid, M.</style></author><author><style face="normal" font="default" size="100%">Shirazi, A. N.</style></author><author><style face="normal" font="default" size="100%">Tiwari, R. K.</style></author><author><style face="normal" font="default" size="100%">Parang, K.</style></author><author><style face="normal" font="default" size="100%">Karthikeyan, M.</style></author><author><style face="normal" font="default" size="100%">Muthukrishnan, M.</style></author><author><style face="normal" font="default" size="100%">Vyas, Renu</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Scientific &amp; Industrial Research</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">78</style></volume><pages><style face="normal" font="default" size="100%">111-117</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A series &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;novel&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;chromone&lt;/span&gt;/&lt;span class=&quot;hitHilite&quot;&gt;aza&lt;/span&gt;-&lt;span class=&quot;hitHilite&quot;&gt;chromone&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;fused&lt;/span&gt; alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride &lt;span class=&quot;hitHilite&quot;&gt;as&lt;/span&gt; the catalyst. All the synthesized compounds were tested for their c-&lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; inhibitory activity. &lt;span class=&quot;hitHilite&quot;&gt;Aza&lt;/span&gt;-&lt;span class=&quot;hitHilite&quot;&gt;chromone&lt;/span&gt; compound showed &lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; inhibition with an IC50 value &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 15.8 mu M. The compounds were subjected to &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; (PDB code 1Y57) &lt;span class=&quot;hitHilite&quot;&gt;as&lt;/span&gt; well &lt;span class=&quot;hitHilite&quot;&gt;as&lt;/span&gt; phosphorylated tyrosine protein &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; (PDB code 2H8H). Docking and &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; dynamic results revealed phosphorylated &lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; tyrosine &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; protein better results than unphosphorylated tyrosine &lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for &lt;span class=&quot;hitHilite&quot;&gt;Src&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;kinase&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;inhibitors&lt;/span&gt;.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;&lt;span class=&quot;style1  style7&quot;&gt;&lt;font face=&quot;Verdana&quot;&gt;0.735&lt;/font&gt;&lt;/span&gt;&lt;/p&gt;
</style></custom4></record></records></xml>