<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>
N-Substituted sulfonamide anthranilate hydroxamic acid derivatives have a better binding affinity towards the Matrix Metalloprotease (MMP) enzyme as per the literature. Based on that we have selected the Matrix Metalloprotease-1 (MMP-1) domain of MMP enzyme and performed the molecular docking studies using the SYBYL X 2.1 software. We have designed fifteen new chemical new entities for the docking studies and among that two chemical entities were found to have better binding affinities towards the MMP-1 target. By studying the total docking scores of all the new chemical entities we have concluded that the groups like benzyl group at Nth position, methoxy group at 4th position of phenyl sulfonamide nucleus, dimethylamine group at 3rd position of hydroxyl benzamide nucleus, etc. are responsible for better activities and binding affinities towards MMP-1 target. So, based on that we can proceed for the further synthesis of those molecules which has higher affinities towards the MMP domains. Some of the positions like 4th, 6th position in Hydroxy Benzamide Nucleus and 2nd, 3rd, 5th, 6th positions in Phenyl Sulfamido Nucleus are unsubstituted and still, we are in process of study in the future projects.
Matrix Metalloprotease, Surflex-Dock, Tripos Force, Histidine, Valine.
Matrix Metalloprotease, Surflex-Dock, Tripos Force, Histidine, Valine.
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |