<?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><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, Sanket</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, Amir Nasrolahi</style></author><author><style face="normal" font="default" size="100%">Tiwari, Rakesh</style></author><author><style face="normal" font="default" size="100%">Parang, Keykavous</style></author><author><style face="normal" font="default" size="100%">Karthikeyan, Muthukumarasamy</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 α-aminophosphonates as Src kinase inhibitors</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Scientific and 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%">A series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 µM. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 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 Src kinase inhibitors.</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%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">0.204</style></custom4></record></records></xml>