Back to Search
Start Over
Computational drug designing of fungal pigments as potential aromatase inhibitors
- Source :
- Bangladesh Journal of Pharmacology, Vol 9, Iss 4 (2014)
- Publication Year :
- 2014
- Publisher :
- Bangladesh Pharmacological Society, 2014.
-
Abstract
- The existing aromatase inhibitors produced unwelcome effects impose the discovery of novel drugs with privileged selectivity, a reduced amount of toxicity and humanizing potency. In this study, we illuminate the binding mode of polyketide azaphilanoid pigments monascin, ankaflavin, monascorubrin and monascorubramine isolated from Monascus fungus to the aromatase by molecular docking. The 3-dimensional structure of aromatase enzyme (PDB: 4KQ8) was obtained from the Protein Data Bank. PatchDock docking software was used to analyze structural complexes of the aromatase with monascus pigments. Comparatively, the AutoGrid model presented the most briskly constructive binding mode of monascin to aromatase. Docked energies in kcal/mol are: monascin;-13.2; monascorubramine:-12.8, monascorubrin:-12.3; ankaflavin: -10.5. These outcomes exposed these ligands could be potential drugs to treat hormone dependent breast cancer.
- Subjects :
- Ankaflavin
Aromatase
Breast cancer
Monascin
Therapeutics. Pharmacology
RM1-950
Subjects
Details
- Language :
- English
- ISSN :
- 19910088
- Volume :
- 9
- Issue :
- 4
- Database :
- Directory of Open Access Journals
- Journal :
- Bangladesh Journal of Pharmacology
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.8881061a225143dead3baa910a035243
- Document Type :
- article