Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 20, Issue 13, Pages 4164-4171Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2012.04.063
Keywords
Matrix metalloproteinases; Virtual screening; Natural product; Anticancer agent
Funding
- Shanghai Municipal Education Commission [10ZZ41]
- National Natural Science Foundation of China [21173076, 81102375, 10979072]
- Specialized Research Fund for the Doctoral Program of Higher Education of China [20090074120012, 20110074120009]
- 111 Project [B07023]
- Shanghai Committee of Science and Technology [11DZ2260600, 10431902600, 09dZ1975700]
- Fundamental Research Funds for the Central Universities
- 863 Hi-Tech Program of China [2012AA020308]
- Special Fund for Major State Basic Research Project [2009CB918501]
- National S&T Major Project of China [2011ZX09307-002-03]
- Shanghai Rising-Star Program [10QA1401800]
- Program for New Century Excellent Talents in University [NCET-10-0378]
Ask authors/readers for more resources
Nineteen natural compounds with diverse structures are identified as potential MMPIs using structure-based virtual screening from 4000 natural products. Hydroxycinnamic acid or analogs of natural products are important for potent inhibitory and selectivity against MMPs, and the solvent effect in the S10 pocket can affect the hydrophobic interactions and hydrogen bonds between MMPIs and MMPS, making MMPIs exhibit certain selectivity for a specific MMP isoenzyme. Furthermore, compound 5 can reduce the expression of both MMP-2 and active-MMP-9, and suppress the migration of MDA-MB-231 tumor cell in a wound healing assay, which may be further developed as an anticancer agent. (C) 2012 Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
