Title

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

Authors

Abiodun Julius Arannilewa^1,2, Oluwaseun Suleiman Alakanse¹, Adesola Oluwaseun Adeleye³,
Oluwaseyi Israel Malachi⁵, Ifedayo Michael Obaidu^2,6, Oluwafemi Emmanuel Ekun⁴, Emmanuel
Damilola Afolayan¹, Patricia Folakemi Afere^1,3, Kayode Abdullateef Ayuba¹, Tolulope Oluwafemi
Bolarinwa³, George Oche Ambrose¹

Affiliation

¹Department of Biochemistry, University of Ilorin, Ilorin, Nigeria; ²Department of Biochemistry, Ekiti State University, Ado Ekiti, Nigeria; ³Department of Biochemistry, Federal University of Technology, Akure, Nigeria; ⁴Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Nigeria; ⁵Food Production Department, Goodfoods Inc., Montreal, QC, Canada; ⁶Department of Biochemistry, University of Ibadan, Ibadan, Nigeria

Email

Abiodun Julius Arannilewa - E-mail: arannilewajuliusabiodun@yahoo.com

Article Type

Hypothesis

Date

Received October 2, 2018; Revised October 8, 2018; Accepted October 9, 2018; Published November 21, 2018

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+.

Keywords

Cianidanol, Ginkgo biloba, HER2.

Citation

Arannilewa et al. Bioinformation 14(9) 482-487 (2018)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.