Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach

Authors

  • Bilal Ahmed Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad
  • Usman Ali Ashfaq Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad
  • Muhammad Tahir ul Qamar Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad
  • Matloob Ahmad Department of Chemistry, Government College University, Faisalabad

DOI:

https://doi.org/10.3329/bjp.v9i4.20412

Keywords:

Breast cancer, Estrogen receptor, Molecular Docking

Abstract

Breast cancer malignancy is prevailing among the women not only from the developing countries but also from the developed one at the rate of 18% of total population worldwide. One of the main causes of breast cancer is estrogen receptor alpha. Overexpression of estrogen receptor is seen in number of cases of breast cancer. Tamoxifen was used as a reference drug in present study. Almost 80,000 species of plants are used as a source of medicines. Current study was totally based on the screening of phytochemicals to find out the biomolecules having strong bonding actions as compared to tamoxifen. Present study exhibited that 10 molecules (kushenol K, silybin,  taxifolin 3-O-acetate, rosemarinic acid, secundifloran, kushenol N, kurarinol, podophyllotoxone, AC1LCW2L, leachianone G)  have successful and potential binding with the target molecule as compared to tamoxifen. These molecules can be used for the treatment of breast cancer and birth control.

Downloads

Download data is not yet available.
Abstract
556
Download
305 Read
220

References

Ashfaq UA, Mumtaz A, Qamar TU, Fatima T. MAPS Database: Medicinal plant activities, phytochemical and structural database. Bioinformation 2013; 9: 993-95.

Jordan VC. The role of tamoxifen in the treatment and prevention of breast cancer: Current problems in cancer. Curr Prob Cancer. 1992; 16: 134-76.

Desai N, Mahto MK, Alekhya B, Naveen C, Bhaskar M. Comparative docking studies of estrogen receptor inhibitors and their binding interaction analysis. Int J Pharm Sci Rev Res. 2012; 16: 91-95.

Pedro F, Hui L. A Systematic Review on Computer-Aided Drug Design: Docking and scoring. J Macao Polytechn Inst. 2010; 47-51.

Giacinti LP, Claudio P, Lopez M, Giordano A. Epigenetic information and estrogen receptor alpha expression in breast cancer. Oncologist 2006; 11: 1-8.

Hayashi S, Eguchi H, Tanimoto K, Yoshida T, Omoto Y, Inoue A, Yoshida N, Yamaguchi Y. The expression and function of estrogen receptor alpha and beta in human breast cancer and its clinical application. Endocr Relat Cancer. 2003; 10: 193-202.

Holst F, Stahl PR, Ruiz C, Hellwinkel O, Jehan Z, Wendland M, Lebeau A, Terracciano L, Al-Kuraya K, Jänicke F. Estrogen receptor alpha (ESR1) gene amplification is frequent in breast cancer. Nat Genet. 2007; 39: 655-60.

Joy P, Thomas J, Mathew S, Skaria BP. Medicinal plants. Trop Hort. 1998; 2: 449-632.

MOE: Molecular Operating Environment (MOE). Canada, Chemical Computing Group Inc., 2009.

Naeem M, Khan N, Aman Z, Nasir A, Samad A, Khattak A. Pattern of breast cancer: Experience at lady reading hospital, Peshawar. J Ayub Med Coll Abbottabad. 2008; 20: 22-25.

Ooms F. Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry. Curr Med Chem. 2000; 7: 141-58.

Sahu S, Raja S, Kathiresan KP. In silico docking analysis of mangrove-derived compounds against breast cancer protein (BRCA1). Int Multidiscip Res J. 2011; 1.

Published

2014-10-26

How to Cite

Ahmed, B., U. A. Ashfaq, M. T. ul Qamar, and M. Ahmad. “Anticancer Potential of Phytochemicals Against Breast Cancer: Molecular Docking and Simulation Approach”. Bangladesh Journal of Pharmacology, vol. 9, no. 4, Oct. 2014, pp. 545-50, doi:10.3329/bjp.v9i4.20412.

Issue

Section

Research Articles