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

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...

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Main Authors: Bilal Ahmed, Usman Ali Ashfaq, Muhammad Tahir ul Qamar, Matloob Ahmad
Format: Article
Language:English
Published: Bangladesh Pharmacological Society 2014-10-01
Series:Bangladesh Journal of Pharmacology
Subjects:
Online Access:https://www.banglajol.info/index.php/BJP/article/view/20412
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author Bilal Ahmed
Usman Ali Ashfaq
Muhammad Tahir ul Qamar
Matloob Ahmad
author_facet Bilal Ahmed
Usman Ali Ashfaq
Muhammad Tahir ul Qamar
Matloob Ahmad
author_sort Bilal Ahmed
collection DOAJ
description 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.
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spelling doaj.art-d5c4fc1c785843f48bbe2caf593055572022-12-22T02:41:19ZengBangladesh Pharmacological SocietyBangladesh Journal of Pharmacology1991-00882014-10-0194Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approachBilal Ahmed0Usman Ali Ashfaq1Muhammad Tahir ul Qamar2Matloob Ahmad3Department of Bioinformatics and Biotechnology, Government College University (GCU), FaisalabadDepartment of Bioinformatics and Biotechnology, Government College University (GCU), FaisalabadDepartment of Bioinformatics and Biotechnology, Government College University (GCU), FaisalabadDepartment of Chemistry, Government College University, FaisalabadBreast 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.https://www.banglajol.info/index.php/BJP/article/view/20412Breast cancerEstrogen receptorMolecular Docking
spellingShingle Bilal Ahmed
Usman Ali Ashfaq
Muhammad Tahir ul Qamar
Matloob Ahmad
Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach
Bangladesh Journal of Pharmacology
Breast cancer
Estrogen receptor
Molecular Docking
title Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach
title_full Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach
title_fullStr Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach
title_full_unstemmed Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach
title_short Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach
title_sort anticancer potential of phytochemicals against breast cancer molecular docking and simulation approach
topic Breast cancer
Estrogen receptor
Molecular Docking
url https://www.banglajol.info/index.php/BJP/article/view/20412
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AT usmanaliashfaq anticancerpotentialofphytochemicalsagainstbreastcancermoleculardockingandsimulationapproach
AT muhammadtahirulqamar anticancerpotentialofphytochemicalsagainstbreastcancermoleculardockingandsimulationapproach
AT matloobahmad anticancerpotentialofphytochemicalsagainstbreastcancermoleculardockingandsimulationapproach