Jerine Peter S, Gayathri Ashok, Megha Treesa Saju, Mary Thomas, Evan Prince Sabina
Jerine Peter S, Gayathri Ashok, Megha Treesa Saju, Mary Thomas, Evan Prince Sabina*
School of Biosciences and Technology, VIT, Vellore - 632014, India.
Volume - 14,
Issue - 3,
Year - 2021
Objective: Swertia chirata is a medicinal plant that is found in temperate Himalayas. Swertia chirata belongs to Gentinaceae family. It is widely used in pharmaceutical industries because of its medicinal use. It is used for treating fever and various skin diseases. They are also used for the hepatitis and inflammatory diseases in many parts of the world. They are rich in flavonoids, alkaloid and terpenoids. Traditionally Swertia chirata species are used against asthma. Methods: The leaf powder of Swertia chirata was subjected to GC-MS. The 3D structure of the active ligands was obtained by using the Corina molecular network. The receptors for toxicity used are nuclear bile receptor FXR, LXR, Nf-kB. The 3D structures used here are obtained from RSCB protein databank. Patch dock server was used for carrying out the docking experiment and the docked complex obtained were analyzed by the Pymol molecular viewer. This software helps in predicting the number of hydrogen bonds and the length of ligand-receptor bond. The molecular docking is a valuable tool in drug discovery.
Results and conclusion: Our research has demonstrated the potential activity of S.chirata as antioxidant activity through assays and showed potential binding affinity against toxic receptors. Further analysis on in vivo models helps in confirming the use of S.chirata as a valuable drug against toxicity.
Cite this article:
Jerine Peter S, Gayathri Ashok, Megha Treesa Saju, Mary Thomas, Evan Prince Sabina. GC-MS Analysis of the Leaf Extract of Swertia chirata and its In-silico Binding Affinity against Toxicity Receptors. Research J. Pharm. and Tech 2021; 14(3):1622-1628. doi: 10.5958/0974-360X.2021.00288.2
1. Saha P, Mandal S, Das A, Das PC, Das S. Evaluation of the anticarcinogenic activity of Swertiachirata Buch. Ham, an Indian medicinal plant, on DMBA-induced mouse skin carcinogenesis model. Phytotherapy research: PTR. 2004; 18(5):373-378.
2. Karan M, Vasisht K, Handa SS. Antihepatotoxic activity of Swertiachirata on carbon tetrachloride induced hepatotoxicity in rats. Phytotherapy research: PTR. 1999; 13(1):24-30.
3. Chakravarty AK, Mukhopadhyay S, Das B. Swertanetriterpenoids from Swertiachirata. Phytochemistry. 1991; 30(12):4087-4092.
4. Cechinel Filho V, Meyre‐Silva C, Niero R. Chemical and Pharmacological Aspects of the Genus Calophyllum. Chemistry & Biodiversity. 2009; 6(3):313-327.
5. Joshi P, Dhawan V. Dhawan V., in : Swertiachirayita – an overview. In: Current Science 2005, Vol 89.; :635–640.
6. Kumar V, Van Staden J. A Review of Swertiachirayita (Gentianaceae) as a Traditional Medicinal Plant. Frontiers in Pharmacology. 2016; 6.
7. Valerio LG. In silico toxicology for the pharmaceutical sciences. Toxicology and Applied Pharmacology. 2009; 241(3):356-370.
8. Chen Y-C. Beware of docking! Trends in Pharmacological Sciences. 2015; 36(2):78-95.
9. Nagalekshmi R, Menon A, Chandrasekharan DK, Nair CKK. Hepatoprotective activity of Andrographis paniculata and Swertia chirayita. Food and Chemical Toxicology: An International Journal Published for the British Industrial Biological Research Association. 2011; 49(12):3367-3373.
10. Geng C-A, Wang L-J, Zhang X-M, et al. Anti-Hepatitis B Virus Active Lactones from the Traditional Chinese Herb: Swertiamileensis. Chemistry – A European Journal. 2011;17(14):3893-3903.
11. Nandeesh R, Vijayakumar S, Munnolli A, et al. Bioactive phenolic fraction of Citrus maxima abate lipopolysaccharide-induced sickness behaviour and anorexia in mice: In-silico molecular docking and dynamic studies of biomarkers against NF-κB. Biomedicine & Pharmacotherapy. 2018; 108:1535-1545.
12. Ramar Vanajothi, Pappu S. Exploring the inhibitory potential of bioactive compound from Luffaacutangula against NF-κB—A molecular docking and dynamics approach. Computational Biology and Chemistry. 2016; 62:29-35.
13. High-speed gas chromatography in doping control: fast-GC and fast-GC/MS determination of beta-adrenoceptor ligands and diuretics | Request PDF. ResearchGate. https://www.researchgate.net/publication/6500780_High-speed_gas_chromatography_in_doping_control_fast-GC_and_fast-GCMS_determination_of_beta-adrenoceptor_ligands_and_diuretics. Accessed April 5, 2019.
14. Fan G, Luo W-Z, Luo S-H, et al. Metabolic discrimination of Swertiamussotii and Swertiachirayita known as “Zangyinchen” in traditional Tibetan medicine by 1H NMR-based metabolomics. Journal of Pharmaceutical and Biomedical Analysis. 2014; 98:364-370.