In Silico Docking Analysis of Selected Anti-Oxidant Compounds Against VEGF Protein
Keywords:
VEGF-A, iGEMDOCK, Antioxidants, In Silico Analysis, Hesperidin, Ascorbic Acid, Quercetin, Gallic Acid, Anti-AngiogenicAbstract
Vascular Endothelial Growth Factor (VEGF) is a key regulator of vasculogenesis and angiogenesis. Although,
expression of VEGF is necessary for body functioning but its overexpression supports oncogenesis. Therefore, it
has become a major target for the development of cancer therapeutics. Various anti-VEGF compounds have
been explored for anti-angiogenic properties and are presently under clinical trials. The present study is focused
on in silico analysis of various known antioxidants against VEGF-A, using iGEMDOCK software. Hesperidin
has shown minimum binding energy -121.04 kcal mol-1 amongst all antioxidants, followed by quercetin (-98.79
kcal mol-1), gallic acid (-77.49 kcal mol-1) and ascorbic acid (-68.42 kcal mol-1). Hesperidin, a known anti-
angiogenic compound, appeared to be the best inhibitor of VEGF-A, and may be further explored for
development of anticancer drug.
Downloads
References
Ferrara, N. (2004). Vascular endothelial growth factor as a target for anticancer therapy. Oncologist, 9(1), 2-10.
Frumovitz, M., & Sood, A. K. (2007). Vascular endothelial growth factor (VEGF) pathway as a therapeutic
target in gynecologic malignancies. Gynecologic Oncology, 104(3), 768-778.
Hoeben, A., Landuyt, B., Highley, M. S., Wildiers, H., Van Oosterom, A. T., & De Bruijn, E. A. (2004).
Vascular endothelial growth factor and angiogenesis. Pharmacological Reviews, 56(4), 549-580.
Holmes, D. I. R., & Zachary, I. (2005). The vascular endothelial growth factor (VEGF) family: angiogenic
factors in health and disease. Protein Family Review, 6(2), 1-10.
Irwin, J. J., & Shoichet, B. K. (2005). ZINC – A free database of commercially available compounds for virtual
screening. Journal of Chemical Information and Modelling, 45(1), 177-182.
Kim, G. D. (2015). Hesperidin inhibits vascular formation by blocking the AKT/mTOR signaling pathways.
Prev Nutrition and Food Science, 20(4), 221-229.
Meadows, K. L., & Hurwitz, H. I. (2012). Anti-VEGF therapies in the clinic. Cold Spring Harbor Perspectives
in Medicine, 2:a006577, 1-27.
Schwede, T., Kopp, J., Guex, N., & Peitsch, M. C. (2003). SWISS-MODEL: an automated protein homology-
modeling server. Nucleic Acids Research, 31(13), 3381-3385.
Wallner, B., & Elofsson, A. (2006). Identification of correct regions in protein models using structural,
alignment, and consensus information. Protein Science, 15(4), 900-913.
Yang, J. M., & Chen, C. C. (2004). iGEMDOCK: a generic evolutionary method for molecular docking. Protein
: Structure, Function, and Bioinformatiocs, 55(2), 288-304
