<?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%">Mouchlis, V. D.</style></author><author><style face="normal" font="default" size="100%">Magrioti, V.</style></author><author><style face="normal" font="default" size="100%">Barbayianni, E.</style></author><author><style face="normal" font="default" size="100%">Cermak, N.</style></author><author><style face="normal" font="default" size="100%">Oslund, R. C.</style></author><author><style face="normal" font="default" size="100%">Mavromoustakos, T. M.</style></author><author><style face="normal" font="default" size="100%">Gelb, M. H.</style></author><author><style face="normal" font="default" size="100%">Kokotos, G.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Inhibition of secreted phospholipases A&lt;sub&gt;2&lt;/sub&gt; by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations</style></title><secondary-title><style face="normal" font="default" size="100%">Bioorganic and Medicinal Chemistry</style></secondary-title><short-title><style face="normal" font="default" size="100%">Bioorg Med Chem</style></short-title></titles><dates><year><style  face="normal" font="default" size="100%">2011</style></year></dates><number><style face="normal" font="default" size="100%">2</style></number><volume><style face="normal" font="default" size="100%">19</style></volume><pages><style face="normal" font="default" size="100%">735-743</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;span&gt;Group IIA secreted phospholipase A&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;&amp;nbsp;(GIIA sPLA&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;) is a member of the mammalian sPLA&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;&amp;nbsp;enzyme family and is associated with various inflammatory conditions. In this study, the synthesis of 2-oxoamides based on α-amino acids and the in vitro evaluation against three secreted sPLA&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;s (GIIA, GV and GX) are described. The long chain 2-oxoamide GK126 based on the amino acid (&lt;/span&gt;&lt;em&gt;S&lt;/em&gt;&lt;span&gt;)-leucine displayed inhibition of human and mouse GIIA sPLA&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;s (IC&lt;/span&gt;&lt;sub&gt;50&lt;/sub&gt;&lt;span&gt;&amp;nbsp;300&amp;nbsp;nM and 180&amp;nbsp;nM, respectively). It also inhibited human GV sPLA&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;&amp;nbsp;with similar potency, while it did not inhibit human GX sPLA&lt;/span&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;span&gt;. The elucidation of the stereoelectronic characteristics that affect the in vitro activity of these compounds was achieved by using a combination of simulated annealing to sample low-energy conformations before the docking procedure, and molecular docking calculations.&lt;/span&gt;</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><notes><style face="normal" font="default" size="100%">Cited By :15Export Date: 18 January 2017</style></notes><remote-database-name><style face="normal" font="default" size="100%">Scopus</style></remote-database-name></record></records></xml>