Herbal-Drug Interaction Possibility with HPTLC Standardized Aqueous Root Extract of Decalepis hamiltonii: an In-Silico Approach

Abstract

Herbal medicine believed as a better and safe alternative to treat various ailments of humans than allopathic medicine but it is not always true. Despite accepting herbal medicine as the therapeutic agent they may possess significant herbal drug interactions when concomitantly used with allopathic drugs. Decalepis hamiltonii aqueous root extract (Nannari) has been consumed in south Asian countries widely during summer as a flavouring and cooling agent. The hypothesis of the present study is to test the possible herbal-drug interaction with cytochrome 450 enzymes in in-silico. Preliminary phytochemical analysis and HPTLC fingerprints profile of the aqueous root extract of Decalepis hamiltonii reveals the presence of glycosides, tannins, terpenoids, flavonoids, and steroids. Hence, based on the previous literature seven isolated chemical compounds of Decalepis hamiltonii were selected to test for possible herbal-drug interaction with CYP3A4 CYP2D6 and CYP2C9 enzymes by using SMARTCyp and docking analysis programmes. The results are optimistic and all the selected seven compounds possess good binding affinity and binding energy with major cytochrome enzymes which metabolizes the drugs and chemical substances selected in the study are CYP3A4 CYP2D6 and CYP2C9. CYP protein binding affinity and energy are more with CYP3A4 enzyme for all the seven compounds than CYP2D6 and CYP2C9. The findings of the present study reveals that the phyto-chemicals present in the aqueous root extract of D. hamiltonii which were confirmed by HPTLC fingerprinting are metabolized by cytochrome P450 enzymes like CYP3A4, CYP2D6, and CYP2C9. Co-administration of Nannari juice with conventional medicines that are substrates of CYP3A4, CYP2D6, and CYP2C9 may compete for the same enzymes and may precipitate herb-drug interactions. To confirm this, in-vivo and in-vitro CYP inhibition and induction studies with AREDH are warranted.