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

Autor: Arannilewa AJ; Department of Biochemistry, University of Ilorin, Ilorin, Nigeria.; Department of Biochemistry, Ekiti State University, Ado Ekiti,Nigeria., Suleiman Alakanse O; Department of Biochemistry, University of Ilorin, Ilorin, Nigeria., Adesola AO; Department of Biochemistry, Federal University of Technology, Akure, Nigeria., Israel Malachi O; Food Production Department, Goodfoods Inc., Montreal, QC, Canada., Michael Obaidu I; Department of Biochemistry, Ekiti State University, Ado Ekiti,Nigeria.; Department ofBiochemistry, University of Ibadan, Ibadan, Nigeria., Oluwafemi EE; Department of Biochemistry, AdekunleAjasin University, Akungba Akoko, Nigeria., Damilola Afolayan E; Department of Biochemistry, University of Ilorin, Ilorin, Nigeria., Folakemi Afere P; Department of Biochemistry, University of Ilorin, Ilorin, Nigeria.; Department of Biochemistry, Federal University of Technology, Akure, Nigeria., Abdullateef Ayuba K; Department of Biochemistry, University of Ilorin, Ilorin, Nigeria., Oluwafemi Bolarinwa T; Department of Biochemistry, Federal University of Technology, Akure, Nigeria., Oche Ambrose G; Department of Biochemistry, University of Ilorin, Ilorin, Nigeria.
Jazyk: angličtina
Zdroj: Bioinformation [Bioinformation] 2018 Nov 21; Vol. 14 (9), pp. 482-487. Date of Electronic Publication: 2018 Nov 21 (Print Publication: 2018).
DOI: 10.6026/97320630014482
Abstrakt: 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+.
Databáze: MEDLINE