Phytobiological Investigation and In Silico Docking Study of Secondary Metabolites from Saussurea lappa Roots

摘要

Chromatographic exploration of methanol extract derived from Saussurea lappa roots yielded four sesquiterpene lactones,santamarin(1),dehydrocostuslactone(2),costunolide(3)and zaluzanin C(4)along with the well-known triterpene,β-sitosterol(5).Chemical structures were determined based on extensive 1D/2DNMR analyses.In antiviral assay,compounds 1-5 showed % antiviral activity ranging from 2.18±3.1 to 53.7±10.05% and from 15.39±4.83 to 92.91±2.47% when tested against hepatitis A virus(HAV)and Herpes simplex virus type 1(HSV-1),respectively.Molecular docking simulation studies against(HSV-1)DNA polymerase and(HAV)3 C proteinase enzymes showed similar binding interactions as for acyclovir.Compounds(1 and 3-5)showed moderate to potent antibacterial activity against Bacillus subtilis ATCC 6633(MIC values between 7.9 and 31.25 μg/ml)whereas,dehydrocostuslactone(2)and costunolide(3)exhibited comparable antibacterial activities against Pseudomonas aeruginosa ATCC 90274(MIC values=125 μg/ml)compared to gentamicin as a positive control.In cytotoxicity assay against human colorectal carcinoma(HCT-116)and human epithelioid cervical carcinoma(HeLa),compounds 1 and 4 exhibited weak to moderate activities.Compound 1 showed IC50 values of 46.05 μg/ml(185.44 μM)and 59.38 μg/ml(239.1153 μM)whereas compound 4 showed IC50 values of 36.08 μg/ml(146.48 μM)and 46.59 μg/ml(189.175 μM),respectively.