Cembranoid Diterpenes as Antitumor: Molecular Docking Study to Several Protein Receptor Targets
- DOI
- 10.2991/iccst-15.2015.23How to use a DOI?
- Keywords
- Antitumor, cembranoid, docking, PLANTS1.2, sarcophyton glaucum
- Abstract
A molecular docking analysis has been carried out on several cytotoxic cembaranoid type diterpenes that have been isolated from soft coral Sarcophyton glaucum i.e sarcophytolol, sarcophytolide B, sarcophytolide C, sarcophine, deoxosarcophine, and cembrene C. All the compounds were investigated using in silico molecular docking with several enzymes and receptor protein targets i.e cyclin-dependent protein kinase 2 (CDK-2), cyclin-dependent protein kinase 6 (CDK-6), protein kinase C (PKC), vascular endothelial growth factor receptor 2 (VEGFR-2), DNA topoisomerase II and tubulin, in order to investigate the potential molecular targets and to correlate the experimental cytotoxicity of these cembranoid compounds. Molecular docking revealed that sarcophytolol C and deoxosarcophine docked strongly into podophylotoxin binding site of tubulin receptor while the other compounds exhihited selectivity for protein kinase C. The variation of experimental inhibition of concentration (IC50) on several cancer cell lines might be due to the difference mechanism of actions of these cembranoid compounds.
- Copyright
- © 2015, the Authors. Published by Atlantis Press.
- Open Access
- This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).
Cite this article
TY - CONF AU - Muhammad S. Zubair AU - Syariful Anam AU - Khalid O. Al-Footy AU - Ahmed Abdel-Lateef AU - Walied M. Alarif PY - 2015/01 DA - 2015/01 TI - Cembranoid Diterpenes as Antitumor: Molecular Docking Study to Several Protein Receptor Targets BT - Proceedings of the 3rd International Conference on Computation for Science and Technology PB - Atlantis Press SP - 120 EP - 124 SN - 2352-538X UR - https://doi.org/10.2991/iccst-15.2015.23 DO - 10.2991/iccst-15.2015.23 ID - S.Zubair2015/01 ER -