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Compounds isolated from Ageratum houstonianum inhibit the activity of matrix metalloproteinases (MMP-2 and MMP-9): An oncoinformatics study
| Content Provider | Scilit |
|---|---|
| Author | Shakil, Shazi Ghazal, Fauzia Siddiqui, Mohd. Haris Haneef, Mohd. Rehman, Ajijur Ansari, Mohd. Afaque Rizvi, Syed Mohd. Danish Shaikh, Sibhghatulla Verma, Anupriya |
| Copyright Year | 2014 |
| Abstract | In osteosarcoma tissue, both MMP-2 and MMP-9 are over expressed compared to their expression in non-affected stromal tissue. Hence, gelatinases are attractive targets for anti-osteosarcoma drugs. To study the inhibitory activity of compounds isolated from Ageratum houstonianum against MMP-2 and MMP-9 by in-silico approach. We performed docking study using ‘Autodock 4.2’ between 1,2-benzenedicarboxylic acid-bis (2-ethylhexyl) ester; squalene; 3,5-bis (1,1-dimethylethyl) phenol; pentamethyl tetrahydro-5H-chromene; (1, 4-cyclohexylphenyl) ethanone and 6-vinyl-7-methoxy-2,2-dimethylchromene with MMP-2 and MMP-9. Among all six compounds isolated from Ageratum houstonianum, (1, 4-cyclohexylphenyl) ethanone showed the maximum potential as a putative inhibitor of both MMP-2 and MMP-9 enzymes with reference to ΔG (−7.95 and −8.2 kcal/mol, respectively) and Ki (1.48 and 0.98 μM, respectively) values. Total intermolecular energy of docking for (1, 4-cyclohexylphenyl) ethanone-MMP catalytic domain-interaction was found to be −8.55 kcal/mol for MMP-2 and −9.21 kcal/mol for MMP-9. This study explores molecular interactions between human MMPs (MMP-2 and MMP-9) and six natural compounds. This study predicts that (1,4-cyclohexylphenyl) ethanone is a more efficient inhibitor of human MMP-2 and MMP-9 enzymes compared to the other natural compounds used in this study with reference to Ki and ΔG values. |
| Related Links | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3969654/pdf http://www.phcog.com/article.asp?issn=0973-1296;year=2014;volume=10;issue=37;spage=18;epage=26;aulast=Verma;type=2 |
| Ending Page | 26 |
| Page Count | 9 |
| Starting Page | 18 |
| File Format | XHTML |
| ISSN | 09731296 |
| e-ISSN | 09764062 |
| DOI | 10.4103/0973-1296.126653 |
| Journal | Pharmacognosy Magazine |
| Issue Number | 37 |
| Volume Number | 10 |
| Language | English |
| Publisher | Medknow |
| Access Restriction | Open |
| Subject Keyword | Biology Ageratum Houstonianum Docking Matrix Metalloproteinases Matrix Metalloproteinase 2 Matrix Metalloproteinase 9 Oncoinformatics 4-cyclohexylphenyl) Ethanone Pharmacognosy Magazine, Volume 10, Issue 37 |
| Content Type | Text |
| Resource Type | Article |
| Subject | Drug Discovery Pharmaceutical Science |
