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Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target

HER2 is a known therapeutic target for about 30% of breast cancer patients where HER2 is over expressed and this is referred to as HER2 positive breast cancer. This subtype is characterized by a clinical behavior know to be especially aggressive. Improved HER2 targeting agents such as trastuzumab, p...

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Autores principales: Arannilewa1, Abiodun Julius, Suleiman Alakanse, Oluwaseun, Adesola, Adesola Oluwaseun, Israel Malachi, Oluwaseyi, Michael Obaidu, Ifedayo, Oluwafemi, Emmanuel Ekun, Damilola Afolayan, Emmanuel, Folakemi Afere, Patricia, Abdullateef Ayuba, Kayode, Oluwafemi Bolarinwa, Tolulope, Oche Ambrose, George
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6563659/
https://www.ncbi.nlm.nih.gov/pubmed/31223207
http://dx.doi.org/10.6026/97320630014482
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author Arannilewa1, Abiodun Julius
Suleiman Alakanse, Oluwaseun
Adesola, Adesola Oluwaseun
Israel Malachi, Oluwaseyi
Michael Obaidu, Ifedayo
Oluwafemi, Emmanuel Ekun
Damilola Afolayan, Emmanuel
Folakemi Afere, Patricia
Abdullateef Ayuba, Kayode
Oluwafemi Bolarinwa, Tolulope
Oche Ambrose, George
author_facet Arannilewa1, Abiodun Julius
Suleiman Alakanse, Oluwaseun
Adesola, Adesola Oluwaseun
Israel Malachi, Oluwaseyi
Michael Obaidu, Ifedayo
Oluwafemi, Emmanuel Ekun
Damilola Afolayan, Emmanuel
Folakemi Afere, Patricia
Abdullateef Ayuba, Kayode
Oluwafemi Bolarinwa, Tolulope
Oche Ambrose, George
author_sort Arannilewa1, Abiodun Julius
collection PubMed
description HER2 is a known therapeutic target for about 30% of breast cancer patients where HER2 is over expressed and this is referred to as HER2 positive breast cancer. This subtype is characterized by a clinical behavior know to be especially aggressive. Improved HER2 targeting agents such as trastuzumab, pertuzumb, lapatinib and ado-trastuzumab emtansine are available. Some patients have shown no response to treatment while others show progress to these agents. Therefore, it is of interest to screen HER2+ with phyto-chemical lead compound from Ginkgo biloba using molecular docking techniques. We screened 25 phyto-chemicals from literature with HER2+. Results show that cianidanol have an acceptable binding energy of (-8.2kcal/mol). Thus, we report the binding properties of cianidanol with HER2+.
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spelling pubmed-65636592019-06-20 Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target Arannilewa1, Abiodun Julius Suleiman Alakanse, Oluwaseun Adesola, Adesola Oluwaseun Israel Malachi, Oluwaseyi Michael Obaidu, Ifedayo Oluwafemi, Emmanuel Ekun Damilola Afolayan, Emmanuel Folakemi Afere, Patricia Abdullateef Ayuba, Kayode Oluwafemi Bolarinwa, Tolulope Oche Ambrose, George Bioinformation Hypothesis HER2 is a known therapeutic target for about 30% of breast cancer patients where HER2 is over expressed and this is referred to as HER2 positive breast cancer. This subtype is characterized by a clinical behavior know to be especially aggressive. Improved HER2 targeting agents such as trastuzumab, pertuzumb, lapatinib and ado-trastuzumab emtansine are available. Some patients have shown no response to treatment while others show progress to these agents. Therefore, it is of interest to screen HER2+ with phyto-chemical lead compound from Ginkgo biloba using molecular docking techniques. We screened 25 phyto-chemicals from literature with HER2+. Results show that cianidanol have an acceptable binding energy of (-8.2kcal/mol). Thus, we report the binding properties of cianidanol with HER2+. Biomedical Informatics 2018-11-21 /pmc/articles/PMC6563659/ /pubmed/31223207 http://dx.doi.org/10.6026/97320630014482 Text en © 2018 Biomedical Informatics http://creativecommons.org/licenses/by/3.0/ This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Hypothesis
Arannilewa1, Abiodun Julius
Suleiman Alakanse, Oluwaseun
Adesola, Adesola Oluwaseun
Israel Malachi, Oluwaseyi
Michael Obaidu, Ifedayo
Oluwafemi, Emmanuel Ekun
Damilola Afolayan, Emmanuel
Folakemi Afere, Patricia
Abdullateef Ayuba, Kayode
Oluwafemi Bolarinwa, Tolulope
Oche Ambrose, George
Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target
title Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target
title_full Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target
title_fullStr Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target
title_full_unstemmed Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target
title_short Molecular docking analysis of Cianidanol fromGinkgo biloba with HER2+ breast cancer target
title_sort molecular docking analysis of cianidanol fromginkgo biloba with her2+ breast cancer target
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6563659/
https://www.ncbi.nlm.nih.gov/pubmed/31223207
http://dx.doi.org/10.6026/97320630014482
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