Interaction of eight steroid derivatives with VEGFR-1 using a theoretical model

Abstract

Some vascular endothelial growth factor receptor-1 (VEGFR-1) inhibitors drugs have been used to cancer cells; however, their interaction with VEGFR-1 is very confusing. The objective of this research was to evaluate the possible interaction of eight steroid derivatives with VEGFR-1 surface using 3hgn protein, cabozantinib, pazopanib, regorafenib, and sorafenib as theoretical tools in DockingServer program. The results showed some differences in the interaction of the steroid derivatives (1-8) with the 3hng protein surface such as i) differences in the number of amino acids; ii) different position of some amino acids compared to cabozantinib, pazopanib, regorafenib, and sorafenib. Besides, the inhibition constant (Ki) for steroid derivatives 1, 3, 6 and 8 was lower compared to cabozantinib and sorafenib drugs. In addition, other data display that Ki for steroid analogs 1, 3, 4, 6, 7 and 8 was lower compared with pazopanib and regorafenib. In conclusion, all these data suggest that steroid derivatives 1, 3, 4, 6, 7 and 8 could act as VEGFR-1 inhibitors and this phenomenon could be translated as good compounds to treat cancer cells.