In-Silico Study of Olive’s (Olea europaea L) Bioactive Compounds as Anti-Cancer Agents
Shahida, S., Kuddusa, M., Kausara, M., Alshammari, B., Althaqafi, M., Alshammari, R., Alshmmary, S., Almudayni, H., Alshammary, K., Alsamaan, S., alduhaim, A., Saleem, M., Qumani, M. (2019). In-Silico Study of Olive’s (Olea europaea L) Bioactive Compounds as Anti-Cancer Agents. EKB Journal Management System, 11(2), 21-29. doi: 10.21608/eajbsc.2019.29079
S. M.A. Shahida; Mohammad Kuddusa; Mohd Adnan Kausara; Basil E. K. Alshammari; Musaabc A. S. Althaqafi; Rakan E. K. Alshammari; Sultan N. H. Alshmmary; Hussain. K.A. Almudayni; Khalid. M. Alshammary; Sulaiman S. Alsamaan; Abdalaziz S. alduhaim; Mohd Saleem; Mohammad Ahmed Qumani. "In-Silico Study of Olive’s (Olea europaea L) Bioactive Compounds as Anti-Cancer Agents". EKB Journal Management System, 11, 2, 2019, 21-29. doi: 10.21608/eajbsc.2019.29079
Shahida, S., Kuddusa, M., Kausara, M., Alshammari, B., Althaqafi, M., Alshammari, R., Alshmmary, S., Almudayni, H., Alshammary, K., Alsamaan, S., alduhaim, A., Saleem, M., Qumani, M. (2019). 'In-Silico Study of Olive’s (Olea europaea L) Bioactive Compounds as Anti-Cancer Agents', EKB Journal Management System, 11(2), pp. 21-29. doi: 10.21608/eajbsc.2019.29079
Shahida, S., Kuddusa, M., Kausara, M., Alshammari, B., Althaqafi, M., Alshammari, R., Alshmmary, S., Almudayni, H., Alshammary, K., Alsamaan, S., alduhaim, A., Saleem, M., Qumani, M. In-Silico Study of Olive’s (Olea europaea L) Bioactive Compounds as Anti-Cancer Agents. EKB Journal Management System, 2019; 11(2): 21-29. doi: 10.21608/eajbsc.2019.29079

In-Silico Study of Olive’s (Olea europaea L) Bioactive Compounds as Anti-Cancer Agents

Egyptian Academic Journal of Biological Sciences. C, Physiology and Molecular Biology
Article 2, Volume 11, Issue 2, March 2019, Page 21-29  XML PDF (1.58 MB)
Document Type: Original Article
DOI: 10.21608/eajbsc.2019.29079
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Authors
S. M.A. Shahida1; Mohammad Kuddusa1; Mohd Adnan Kausara1; Basil E. K. Alshammari1; Musaabc A. S. Althaqafi1; Rakan E. K. Alshammari1; Sultan N. H. Alshmmary1; Hussain. K.A. Almudayni1; Khalid. M. Alshammary1; Sulaiman S. Alsamaan1; Abdalaziz S. alduhaim1; Mohd Saleem2; Mohammad Ahmed Qumani3
1Department of Biochemistry, College of Medicine, University of Hail, P.O. Box 2440, KSA
2Department of Microbiology College of Medicine, University of Hail, P.O. Box 2440, KSA
3Department of Pharmacology, College of Medicine, University of Hail, P.O. Box 2440, KSA
Abstract
        Recent studies suggest that Olives bioactive compounds are very important and mainly associated with cancer fight. They can suppress tumor growth through the direct interaction with several important proteins which are directly associated with tumor associated pathways such as P53, P16, P21, BCL2, BAX, MDM2, MMP2 and MMP9 proteins. The main aim of the present work is to perform a docking analysis of the Olives bioactive compounds with tumor-associated proteins. To do that, we first retrieved all the known structures of Olive bioactive compounds using different available online databases. Next, we analyzed these structures using Molegro Virtual Docker (MVD-2010, 4.2.0) software.  Further, we narrowed four important compounds (namely, Deacetoxyoleuropein aglycone, Hydroxytyrosol, Tyrosol and Erlotinib) of Olive bioactive compounds that showed very distinguished properties. The ADME properties of these four compounds were predicted based on Lipinski’s rule of five. The active sites of the very widely known tumor-associated proteins (P53, P16, P21, BCL2, BAX, MDM2, MMP2 and MMP9) were explored using MVD software. Finally, the active sites of these proteins were docked with the above mentioned four compounds. Based on the docking study, it was concluded that Deacetoxyoleuropein Anglican showed strong inhibition with EGFR, VEGFR1 and VEGFR2. 
Keywords
olive; Cancer; docking; MVD; Therapeutic
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