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An Investigation of Molecular Targeting of MMP-9 for Endometriosis Using Algal Bioactive Molecules

Phyton-International Journal of Experimental Botany 2022年第3期91卷 569-582页

作者： Farnaz Nabiya anchana devi chenniappan Rajamiriyam Marichamy MubarakAli Davoodbasha Jung-Wan Kim P.G.&Research Department of Biotechnology Women’s Christian CollegeChennai600006Tamil NaduIndia School of Life Sciences B.S.Abdur Rahman Crescent Institute of Science and TechnologyChennai600048Tamil NaduIndia Division of Bioengineering Incheon National University119 Academy-roSongdo 1(il)-dongYeonsu-guIncheon22012Korea

Endometriosis is a chronic inflammatory disease that occurs due to the presence of endometrial tissue outside the uterine *** affects from 5%to 10%of women of reproductive *** levels of matrix metalloproteinase(especially MMP-9)have been observed in women suffering from ***,the aim of this study was to investigate the naturally anti-inflammatory compounds available from an algal source that can target the MMP-9 by various in silico *** target 1L6J(Crystal structure of human matrix metalloproteinase MMP-9)structure was retrieved from the PDB *** compounds such as Eckol,Sargafuran,Vitamin E,Docosahexaenoic acid,Fucoidan and Elagolix were selected based on‘Lipinski’s rule of five’using the PubChem *** pharmacokinetics,ADMET properties and biological activity of these compounds were predicted computationally using databases such as PreADME,SWISS-ADME,pkCSM and *** analysis of the bioactive compounds with the target was performed by AutoDock *** LigPlot v.2.2,the target residues interacting with the compounds were visualised in a 2D *** on the results,Eckol exhibited the highest binding energy value of−7.82 kcal/mol,whereas the Elagolix(control drug)showed a binding energy of−4.88 *** conclude that Eckol can be a potent inhibitor of target MMP-9 with least side effects when compared to the control ***,this compound can be effectively explored by further in vitro and in vivo studies to develop more effective treatments for Endometriosis.

关键词： Endometriosis matrix metalloproteinase anti-inflammatory PubChem AutoDock 4.2.6 LigPlot v.2.2 eckol

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