Identification of Antidiabetic and Anti-inflammatory Potential Compounds of Ethylacetate Extract of Tinospora cardifolia (Wild) Identified by GC-MS and Spectral Analysis: A Computational Approach

Abstract

The present study was aimed to the phytochemical and GC-MS analysis for ethyl acetate extract of Tinospora cardifolia. The structure of the compounds was further confirmed by UV-spectroscopy and FTIR study. The in silico study like molecular, physico-chemical and drug likeliness property was carried out by computational approaches for the identified molecules. Further toxicity potential and pharmacokinetic profile were also determined. The study was carried out using OSIRIS data warrior and Swiss ADME tools. The docking analysis was carried out for the antidiabetic and anti-inflammatory profiles. The compounds were targeted for α-glucosidase, peroxisome proliferator-activated receptor, glucose transporter-1, cyclo-oxygenase-1 & 2 inhibitions. About 12 compounds were identified by GC-MS analysis. All the compounds exhibited moderate to good drug likeliness and pharmacokinetic potentials. The molecules showed a good bioactivity score against enzyme receptors. The ADMET prediction showed PGP and CYP-inhibitory effects with the least toxic profile. The docking analysis showed good binding affinity of that 1,4-bis(3,4,5-trimethoxy phenyl)hexahydrofuro[3,4-c]furan (Molecule-10) have strong binding affinity on targeted proteins under investigation.

In silico Based Virtual Screening of Non-polar Phytochemicals obtained From Petroleum Ether Extract of Asparagus racemosus by GC-MS Analysis

“…It provided valuable information to identify specific proteins and the therapeutic efficacy of the drug. [23]…”