Insilico Docking Study Of Prospitious Natural Compounds Of Mitragyna Parvifolia Effective On Hyperlipidemia Against Hmgcr, Npc1l1, Fxr And Pparα Targets

Abstract

Aim: The prevalence of hyperlipidemia is currently rising dramatically across the world. There are very few medications available for the treatment of hyperlipidemia and administering them for longer period could end up with unfavourable side effects.  Materials and Methods: In this study 4 targets i.e. HMG-CoA reductase (HMGCR) receptor, Niemann Pick C1 like1 protein (NPC1L1), Farnesiod X receptor (FXR), and Peroxisome proliferator-activated receptor α (PPARα) were selected on the basis of their mechanism of action in hyperlipidemia. The docking analysis was carried out by utilising PyRx 0.8 virtual screening and the visualization of protein-ligand interaction was investigated by utilising the BIOVIA Discovery Studio Visualizer.  Results: Docking simulation of active compounds from Mitragyna parvifolia against HMGCR receptor shows that 3-Isoajmalicine has the highest binding affinity of (-7.8 kcal / mole). In the characteristic binding to NPC1L1 receptor, Pteropodine showed highest binding affinity value of (-7 kcal / mole). Docking analysis of FXR receptor showed impressive binding affinities of Tetrahydroalstonine with a docking score of (-8.8 kcal / mole). Lastly docking studies of PPARα have revealed that Pteropodine (-7.7 kcal / mole) and Uncarine F (-7.7 kcal / mole) has shown highest binding energy.  Conclusion: On the basis of binding affinity and pharmacokinetic parameters our findings strongly support the potential use of phytoconstituents from Mitragyna parvifolia as a medicinal herb that might be taken in daily life to prevent higher level of cholesterol in blood because of their inhibitory effect on numerous proteins involved in hyperlipidemia. Further, additional research, i.e. in vitro and in vivo trials on the same constituents, is required to confirm our results and the clear picture of the mechanism of action by which the medicinal plant demonstrated their antihyperlipidemic effects.