02055nas a2200205 4500008004100000245008900041210006900130260001800199300001200217490000600229520142200235653002501657653001301682653002201695653001201717653001601729653002301745100002301768856005801791 2017 eng d00aCurcumin and Natural Derivatives Inhibit Ebola Viral Proteins: An In silico Approach0 aCurcumin and Natural Derivatives Inhibit Ebola Viral Proteins An cDecember 2017 as15-s220 v93 a

Background: Ebola viral disease is a severe and mostly fatal disease in humans caused by Ebola virus. This virus belongs to family Filoviridae and is a single‑stranded negative‑sense virus. There is no single treatment for this disease which puts forth the need to identify new therapy to control and treat this fatal condition. Curcumin, one of the bioactives of turmeric, has proven antiviral property. Objective: The current study evaluates the inhibitory activity of curcumin, bisdemethoxycurcumin, demethoxycurcumin, and tetrahydrocurcumin against Zaire Ebola viral proteins (VPs). Materials and Methods: Molecular simulation of the Ebola VPs followed by docking studies with ligands comprising curcumin and related compounds was performed. Results: The highest binding activity for VP40 is −6.3 kcal/mol, VP35 is −8.3 kcal/mol, VP30 is −8.0 kcal/mol, VP24 is −7.7 kcal/mol, glycoprotein is −7.1 kcal/mol, and nucleoprotein is 6.8 kcal/mol. Conclusion: Bisdemethoxycurcumin shows better binding affinity than curcumin for most VPs. Metabolite tetrahydrocurcumin also shows binding affinity comparable to curcumin. These results indicate that curcumin, curcuminoids, and metabolite tetrahydrocurcumin can be potential lead compounds for developing a new therapy for Ebola viral disease.

10aBisdemethoxycurcumin10aCurcumin10aDemethoxycurcumin10aDocking10aEbola virus10aTetrahydrocurcumin1 aBaikerikar, Shruti uhttps://phcogres.com/article/2017/9/5s/104103prpr3017