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Molecular docking and ¬in-silico study of natural antagonists of ER-alpha receptor: Potential candidates against breast cancer.
- Source :
-
Pakistan journal of pharmaceutical sciences [Pak J Pharm Sci] 2020 Mar; Vol. 33 (2), pp. 733-738. - Publication Year :
- 2020
-
Abstract
- Breast cancer is affecting the women in both developing and non-developing countries in a dangerous ratio. Estrogen receptor alpha (ER-α) controls a number of physiological processes. Its over expression is seen in breast cancer. Estrogen positive breast cancer can be treated by hormone therapy, that's why we focused on anti-estrogen natural molecules. A library of 5022 phytochemicals was searched, and selected top molecules based on their drug scoring. Fulvestrant was used as the reference drug. 4 molecules showed more drug scoring than the standard and these include Kushenol K, Flavobin, Kushenol N and CHEMBL66996 in descending order. All these molecules were further assessed for their other biological activities and found better than the standard. Therefore, these compounds may be used effectively as antagonists of ER-alpha receptor and as potential candidates against breast cancer.
- Subjects :
- Antineoplastic Agents, Phytogenic pharmacology
Antineoplastic Agents, Phytogenic therapeutic use
Estrogen Receptor alpha chemistry
Female
Humans
Phytochemicals chemistry
Phytochemicals pharmacology
Phytochemicals therapeutic use
Protein Structure, Secondary
Antineoplastic Agents, Phytogenic chemistry
Breast Neoplasms drug therapy
Computer Simulation
Estrogen Receptor alpha antagonists & inhibitors
Molecular Docking Simulation methods
Subjects
Details
- Language :
- English
- ISSN :
- 1011-601X
- Volume :
- 33
- Issue :
- 2
- Database :
- MEDLINE
- Journal :
- Pakistan journal of pharmaceutical sciences
- Publication Type :
- Academic Journal
- Accession number :
- 32276920