Comparative Docking Studies of Osthol Derivatives and Sorafenib on BRAF V599E Mutant Protein

摘要

B-Raf, member of the RAF kinase family of serine/threonine-specific protein kinases. Mutations in the BRAF gene may get inherited and cause birth defects resulting in cancer during the later life of humans. The mutation in BRAF includes V599E, V599D, L596V, L596R, G595R and F594L. Among this V599E involves about 92 % of mutation. The inhibitors chosen for B-raf proto-oncogene serine/threonine-protein kinase mutant V599E were osthol and its derivatives, as, it is reported to be anticancerous compound. Among the ten compounds derived, docking result shows that Osthol Ritter product (ORP) possess more binding energy. To confirm this we have performed induced docking of ORP with the existing drug Sorafenib, both the compounds shows interaction with ASP 593 and GLU 500 and ORP’s Glide score is similar to Sorafenib. There by we suggest that, the osthol ritter product as a drug candidate against cancer.