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Vol. 34 No. 6 (2022): Vol 34 Issue 6

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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

https://doi.org/10.14233/ajchem.2022.23624
D. Senthil Kumar
Department of Pharmacy, Faculty of Engineering & Technology, Annamalai University, Annamalai Nagar-608002, India
D. Karthikeyan
SNS College of Pharmacy and Health Sciences, SNS Kalvi Nagar, Kurumbalayam, Saravanampatti, Coimbatore-641035, India
Biswabara Roy
Srikrupa Institute of Pharmaceutical Sciences, Kondapakka, Velikatta, Siddipet-502277, India

Corresponding Author(s) : D. Senthil Kumar

Asian Journal of Chemistry, Vol. 34 No. 6 (2022): Vol 34 Issue 6

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.

Keywords

Tinospora cardifolia Ethylacetate extract Drug likeliness Docking analysis Anti-diabetic Anti-inflammatory activity
Senthil Kumar, D., Karthikeyan, D., & Roy, B. (2022). 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. Asian Journal of Chemistry, 34(6), 1401–1412. https://doi.org/10.14233/ajchem.2022.23624
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