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Volume: 6, Issue: 8, August, 2016
DOI: 10.7324/JAPS.2016.60801



Research Article

Docking and ADME/T analysis of silibinin as a potential inhibitor of EGFR kinase for ovarian cancer therapy

S. M. Zahid Hosen1, Mohammad Shah Hafez Kabir2, Abul Hasanat3, Tanvir Ahmad Chowdhury2, Nishan Chakrabarty2, Shanker Kumar Sarker4, Md. Razibul Habib5, Raju Dash6

  Author Affiliations


Abstract

Epidermal Growth Factor Receptor (EGFR) is mostly deregulated and over expressed in ovarian cancer, which is directly linked with STAT3 activation that leads to the accumulation of anti-apoptotoc events and thus, platinum drug resistance occurs. Regarding this, increasing of platinum drug sensitivity by targeting EGFR receptor along with platinum drugs is one of the major strategies in ovarian cancer treatment. In this context, using molecular simulation studies, the present study described the structural and functional properties of silibinin as a potential inhibitor of EGFR tyrosine kinase, and also its metabolic profile had been investigated by SOM prognosis. According to the results, silibinin have shown the significant binding energy by interacting with important residues in the active site. Again, it also processed medium absorption profile with no Fe accessibility. Furthermore, the study is also useful for further clinical based studies and also for the validation of toxicological and pharmacokinetic study.

Keywords:

Silibinin, Epidermal Growth Factor Receptor, Molecular Simulation, SOM Prediction.



Citation: Hosen SMZ, Kabir MSH, Hasanat A, Chowdhury TA, Chakrabarty N, Sarker SK, Kader SMA, Habib MR, Dash R. Docking and ADME/T analysis of silibinin as a potential inhibitor of EGFR kinase for ovarian cancer therapy. J App Pharm Sci, 2016; 6 (08): 001-005.


Copyright: The Author(s). This is an open access article distributed under the Creative Commons Attribution Non-Commercial License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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