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- 1. GC-MS Analysis and Inhibitory evaluation of extracts of Kavuni rice on major enzymes linked to Diabetes: An In-vitro & In-silico Approach Under the Guidance of Prof. S. Umamaheswari Presented by E. Glory Arul Blessy (Reg No. 20204012502105)
- 2. Diabetes mellitus Diabetes mellitus - group of metabolic diseases characterized by chronic hyperglycemia resulting from defects in insulin secretion,/insulin action/both. Chronic hyperglycemia of diabetes is associated with long-term damage, dysfunction, and failure of different organs (eyes, kidneys, nerves, heart & blood vessels). Diabetes mellitus is rising to an alarming epidemic level. Major cause of Diabetes in recent years Higher consumption of polished white rice Ref: Akram and Hisham, 2015
- 3. White rice and Diabetes • Undergoes higher degree of milling process • Devoid of essential micronutrients • Starchy endosperm-higher carbohydrate levels • High Glycemic index & High Glycemic Load: increased risk of type 2 diabetes • Lower levels of bioactive substances • Lower levels of dietary fiber and polyphenols Ref: Q Sun et al., 2010
- 4. Why pigmented rice varieties is preferred? • Valuable Nutrient Content • Low Glycemic Index • Rich in Antioxidants like Anthocyanins • Presence of Polyphenols- Antioxidants • Undergoes less degree of milling process • Reduce the risk of metabolic disorders • Richer in Dietary fiber, minerals and vitamins • Reduction of LDL Cholesterol • Higher concentration of bioactive substances Ref: TS Rathna Priya et al., 2019
- 5. Red Kavuni Rice Pigmented and Traditional Rice Variety Indigenous to Tamil Nadu Grown mainly in Tanjore, Tirunelveli, Dharmapuri & Kanyakumari Districts Contains anthocyanin (antioxidant) Contains higher levels of amylose, dietary fiber, protein, β- carotene, lutein and polyphenols than white rice. Inhibitory potential against α-amylase and β-glucosidase Ref: Valarmathi et al., 2016
- 6. Objectives Preparation of Rice Extract and Phytochemical Screening In vitro Antioxidant Assay and In vitro Antidiabetic Assay GCMS Analysis of the Rice Extract Analysis of Drug-Likeness Property of Phytocompounds using SWISSADME Docking Studies of the Phytocompounds with receptors related with Diabetes mellitus
- 7. Methodology Rice Extract Preparation Sample: Kavuni rice Method: Soxhlet Extraction Solvent: Methanol Ref: Choudhury et al., 2020 Phytochemical Screening Tests the presence/absence of Carbohydrates Protein Alkaloid Phenol Flavanoid Tannin Saponins Anthocyanins Ref: Mannan et al., 2013
- 8. GC-MS Analysis To profile the volatile bioactive compounds present in the methanol extract of Kavuni rice. (Ref: Ashok Kumar et al., 2020) Analysis of Drug-Likeness Property of Bioactive compounds using SWISSADME To evaluate the pharmacokinetics, drug-likeness properties of the Bioactive compounds present in the rice extract. • Physicochemical properties • Lipophilicity • Water solubility • Pharmacokinetics • Drug-likeness • Medicinal Chemistry (Ref: Daina et al.,2017)
- 9. Molecular Docking Studies To analyse the binding efficiency of the bioactive compounds of the rice extract and to find out crucial residues involved in bond formation against the enzymes (α-amylase & α-glucosidase) Preparation of Receptor (α-amylase & α-glucosidase) Preparation of Ligand Docking studies using PatchDock Interaction analysis using PyMol, LigPlot & Discovery Studio (Ref: Ladokun et al., 2018)
- 10. RESUL TS
- 11. Preparation of Rice Extracts Two solvents Methanol and Ethanol were used for the Extraction using Soxhlet.
- 12. Qualitative Phytochemical Screening Phytochemical Tests Ethanol Methanol Tannin + + Saponins _ _ Flavonoid + + Glycoside _ + Phlobatannins _ _ Steroid _ + Terpenoids _ + Carbohydrate + + Reducing sugar _ + Alkaloids + + “+”indicates the presence and “-” indicates the absence of the Phytochemicals
- 13. Quantitative Analysis of Phytochemicals Extract Anthocyanin (mg/g) Flavonoid (mg GAE/g) Phenol (mg GAE/g) Methanol 0.0297±0.007 6.58±0.41 0.952±0.054 Ethanol 0.0212±0.004 5.16±0.22 0.652±0.24
- 14. Antioxidant Analysis DPPH Scavenging Assay Concentration (µg/ml) % Inhibition Control Ethanol Extract of Kavuni Rice Methanol Extract of Kavuni rice 25 24.3±0.21 9.7±0.61 21.5±0.05 50 32.5±0.17 14.6±0.23 30.8±0.08 100 47.6±0.07 21.7±0.08 44.2±0.64 150 56.1±0.19 28.2±1.21 53.7±0.03 200 67.6±0.03 39.5±0.08 66.9±0.14 0 10 20 30 40 50 60 70 80 25 50 100 150 200 % Inhibition Concentration Control Ethanol Extract Methanol Extract
- 15. Ferric Reduction Assay Concentration (µg/ml) Absorbance @ 700nm Control Ethanol Extract of Kavuni Rice Methanol Extract of Kavuni rice 25 0.36±0.01 0.20±0.01 0.44±0.07 50 0.54±0.13 0.37±0.05 0.49±0.13 100 0.79±0.03 0.56±0.03 0.78±0.02 150 1.21±0.02 0.94±0.01 1.19±0.14 200 1.53±0.22 1.11±0.03 1.49±0.16 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 25 50 100 150 200 Absorbance @ 700nm Concentration Control Ethanol extract Methanol extract
- 16. Antidiabetic Analysis Alpha Amylase Inhibition Concentration (µg/ml) % Inhibition by Ethanol Extract % Inhibition by Methanol Extract % Inhibition by Positive Control 50 29.6±0.21 36.1±0.34 41.8±0.22 100 34.5±0.27 47.4±0.17 53.6±0.15 150 40.3±0.11 59.6±0.32 61.5±0.06 200 47.5±0.08 62.3±0.02 69.4±0.26 0 10 20 30 40 50 60 70 80 50 100 150 200 % Inhibition Concentration Ethanol Extract Methanol Extract Positive Control
- 17. Alpha Glucosidase Inhibition Concentration (µg/ml) % Inhibition by Ethanol Extract % Inhibition by Methanol Extract % Inhibition by Positive Control 50 21.05±0.08 48.43±0.13 54.01±0.45 100 29.02±0.11 57.11±0.19 69.18±0.06 150 37.11±0.32 64.25±0.25 77.21±0.09 200 48.55±0.14 78.98±0.21 86.54±0.13 0 10 20 30 40 50 60 70 80 90 100 50 100 150 200 % Inhibition Concentration Ethanol Extract Methanol Extract Positive Control
- 18. Glucose Uptake in Yeast Cells Concentration of Standard and Extract in µg/ml % Glucose uptake in Yeast cells (Standard) % Glucose uptake in Yeast cells (Ethanol Extract) % Glucose uptake in Yeast cells (Methanol extract) 100 37.02±0.07 17.51±0.21 32.21±0.31 200 41.21±0.32 24.22±1.07 36.28±0.74 300 49.21±0.11 30.17±0.27 42.65±0.22 400 57.05±0.32 36.52±0.14 53.47±0.26 500 68.07±0.24 41.11±0.19 61.09±0.54 0 10 20 30 40 50 60 70 80 100 200 300 400 500 % of Glucose Uptake Concentration Standard Ethanol Extract Methanol Extract
- 19. GCMS Analysis S.No Compound Name Structure Formula Molecular weight (g/mol) Compound nature Retention time (Minutes) 1 Oleic acid C18H34O2 282.46 Monosaturated Fatty acid 7.20 2 Butyl 8- methylnonyl ester C22ssH34O4 362.50 Benzoic acid esters 15.58 3 Ferulic acid C10H10O4 194.18 Phenolic compound 20.57 4 1,2- benzenedicarbo xylic acid C8H6O4 166.13 Unsaturated polyester resin 23.08 5 Octadecanoic acid C18H36O2 284.48 Stearic acid 23.782 6 Disulfide,di- tert-dodecyl C24H5O52 402.78 Organic disulphide 27.473 7 Trans-O- Hydroxy cinnamic acid C9H8O3 164.16 Phenolic acid 28.50 8 Hexadecanoic acid C16H32O2 256.42 Saturated Fatty acid 34.48
- 21. Swiss ADME-Radar image of the bioactive compounds
- 22. Docking studies with Alpha amylase S.No Compounds Global energy(kcal/mol) Attractive Vdw (kcal/mol) Repulsive Value (kcal/mol) ACE (kcal/mol) 1 Oleic acid -77.98 -20.53 8.04 -14.73 2 Butyl 8-methylnonyl ester -31.93 -9.82 6.80 -4.26 3 Ferulic acid -27.63 -18.53 3.49 -27.11 4 1,2-benzenedicarboxylic acid -29.95 -16.91 1.22 -8.25 5 Octadecanoic acid -30.54 -16.03 6.83 -8.53 6 Disulfide,di-tert-dodecyl -23.32 -13.32 9.79 -8.84 7 Trans-O-Hydroxy Cinnamic acid -65.07 -30.64 7.73 -25.13 8 Hexadecanoic acid -32.18 -15.66 5.20 -8.37
- 23. Docking Studies with Alpha Glucosidase S.No Compounds Global energy(kcal/mol) Attractive Vdw (kcal/mol) Repulsive Value (kcal/mol) ACE (kcal/mol) 1 Oleic acid -41.24 -23.50 4.63 -12.34 2 Butyl 8-methylnonyl ester -29.62 -14.54 3.28 -6.60 3 Ferulic acid -43.31 -20.80 6.22 -28.55 4 1,2-benzenedicarboxylic acid -39.47 -20.92 5.37 -8.67 5 Octadecanoic acid -39.52 -19.25 3.04 -9.13 6 Disulfide,di-tert-dodecyl -31.04 -18.61 10.53 -8.18 7 Trans-O-Hydroxy Cinnamic acid -30.22 -13.81 9.89 -28.34 8 Hexadecanoic acid -32.72 -19.47 6.66 -6.64
- 24. Binding of Ferulic acid with Alpha Amylase Interaction of Trans-O-Hydroxy Cinnamic acid with Alpha Amylase Interaction of Ferulic acid with Alpha Glucosidase Interaction of Ferulic acid with Alpha Glucosidase Binding Analysis of Ferulic acid and Trans-O-Hydroxy Cinnamic acid with Alpha Amylase & Alpha Glucosidase
- 25. Interaction Analysis Using Discovery Studio Interaction of Ferulic acid with Alpha Amylase Interaction of Trans-O-Hydroxy Cinnamic acid with Alpha Amylase Interaction of Ferulic acid with Alpha Glucosidase Interaction of Trans-O-Hydroxy Cinnamic acid with Alpha Glucosidase
- 26. Conclusion • Kavuni rice has medicinal values since it contained a number of secondary metabolites with potent antioxidant and Antidiabetic properties • The presence of bioactive compounds with potent biological and pharmacological activity showed the therapeutic potential of the rice. • Further, In-silico studies confirmed the potent inhibition of the alpha amylase and alpha glucosidase with good binding energies. • Hence it can be concluded that the methanol extract of Kavuni rice has good medicinal properties and it will be employed in the treatment and management of Diabetes Mellitus.
- 27. References • Sun, Q., et al., White rice, brown rice, and risk of type 2 diabetes in US men and women. Arch Intern Med, 2010. 170(11): p. 961-9. • Rathna Priya, T., Eliazer Nelson, A.R.L., Ravichandran, K. et al. Nutritional and functional properties of coloured rice varieties of South India: a review. J. Ethn. Food 6, 11 (2019). • Choudhury, Paramita., et al., (2020). Assessment of nutritional value and quantitative analysis of bioactive phytochemicals through targeted LC‐MS/MS method in selected scented and pigmented rice varietals. Journal of Food Science. 85. 10.1111/1750-3841.15164. • Mannan, Mohammad et al.,(2013). Screening of phytochemical compounds and antioxidant properties in local and HYV of Bangladeshi rice (Oryza sativa L.) International Journal of Biosciences (IJB). 3. 151-160. 10.12692/ijb/3.4.151-160. • Ashokkumar K et al.,(2020) Comparative Profiling of Volatile Compounds in Popular South Indian Traditional and Modern Rice Varieties by Gas Chromatography–Mass Spectrometry Analysis. Front. Nutr. 7:599119. doi: 10.3389/fnut.2020.599119 • Daina, A., Michielin, O. & Zoete, V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep 7, 42717 (2017). • Ladokun et al.,(2018). GC-MS and molecular docking studies of Hunteria umbellata methanolic extract as a potent anti-diabetic. Informatics in Medicine Unlocked. 13. 10.1016/j.imu.2018.08.001. • Mohammad Ajmal Ali., 2020.,Molecular docking and molecular dynamics simulation of anticancer active ligand ‘3,5,7,3′,5′-pentahydroxy-flavanonol-3-O-α-L-rhamnopyranoside’ from Bauhinia strychnifolia Craib to the cyclin-dependent protein kinase, Journal of King Saud University - Science,Volume 32, Issue 1,Pages 891-895,ISSN 1018-3647,