Network Pharmacology and Molecular Docking Study of guggulsterone in the Treatment of hyperlipidaemia

Abstract Guggulu is an oleo gum resin from the Commiphora species. It is widely used for cholesterol-lowering activity and arthritis. Guggulsterone plays a major role in the cholesterol-lowering mechanism by inhibiting Farnesoid X Receptor. The pharmacokinetic parameters of Guggulsterone were estimated from P.K.C.S.M. online server, Network analysis was performed followed by molecular docking analysis performed from Autodock V.® 4.2.6 Program. In silico data shows that guggulsterone is an inhibitor of the CYP3A4 enzyme and hepatotoxic in nature. Guggulsterone isomer showed a stronger binding affinity when compared with atorvastatin. The docking score for Guggulsterone was significant to positive control atorvastatin. The present study revealed that Guggulsterone has a high binding affinity and good binding interaction with targeted protein & positive control atorvastatin.