GC-MS ANALYSIS AND MOLECULAR DOCKING STUDIES OF LASERPITIUM LATIFOLIUM L EXTRACT FOR ANTI-DIABETIC ACTIVITY
DOI:
https://doi.org/10.22159/ijap.2025v17i1.52343Keywords:
Laserpitium latifolium L, Alpha-amylase and alpha-glucosidase, 2,4-Thiazolidinedione, 5-[[4-(4-pyridinyl)-6-quinolinyl] methylene]-(5Z)-, Cycloartenol acetateAbstract
Objective: To assess the anti-diabetic activity of Laserpitium latifolium l extract through computational docking studies.
Methods: Crude extract of Laserpitium latifolium l whole plant was obtained using a rotary evaporator. The extract was analyzed for bioactive compounds using Gas chromatography/Mass spectrometry (GC-MS). The extract was examined for their anti-diabetic effects through computational docking studies and in vitro. For docking studies, proteins of diabetes mellitus, α-amylase and α-glucosidase, were selected from the literature.
Results: Binding affinity assessed by score function identified 2,4-Thiazolidinedione, 5-[[4-(4-pyridinyl)-6-quinolinyl] methylene]-(5Z)-(highest docking score of-7.8 kcal/mol) and cycloartenol acetate (docking score of-7.5kcal/mol) are the most promising compounds that showed strong affinity to target proteins of diabetes mellitus. These compounds have the highest docking scores, suggesting that they are potential candidates for anti-diabetic drug development. Extract of L. latifolium exhibited 68.1% potent activity at 250 μg/ml.
Conclusion: In the anti-diabetic potential of crude extracts, multiple pancreatic and extra-pancreatic mechanisms may occur synergistically to achieve a strong anti-diabetic effect.
References
Saeedi P, Petersohn I, Salpea P, Malanda B, Karuranga S, Unwin N. Global and regional diabetes prevalence estimates for 2019 and projections for 2030 and 2045: results from the international diabetes federation diabetes atlas 9th edition. Diabetes Res Clin Pract. 9th ed. 2019 Nov;157:107843. doi: 10.1016/j.diabres.2019.107843, PMID 31518657.
Sun H, Saeedi P, Karuranga S, Pinkepank M, Ogurtsova K, Duncan BB. IDF diabetes atlas: global regional and country level diabetes prevalence estimates for 2021 and projections for 2045. Diabetes Res Clin Pract. 2022 Jan;183:109119. doi: 10.1016/j.diabres.2021.109119, PMID 34879977.
Brownlee M. The pathobiology of diabetic complications: a unifying mechanism. Diabetes. 2005 Jun;54(6):1615-25. doi: 10.2337/diabetes.54.6.1615, PMID 15919781.
Prior RL, Cao G. Antioxidant capacity and polyphenolic components of teas: implications for altering in vivo antioxidant status. Proc Soc Exp Biol Med. 1999 Apr;220(4):255-61. doi: 10.1046/j.1525-1373.1999.d01-44.x, PMID 10202399.
Pizzino G, Irrera N, Cucinotta M, Pallio G, Mannino F, Arcoraci V. Oxidative stress: harms and benefits for human health. Oxid Med Cell Longev. 2017;2017:8416763. doi: 10.1155/2017/8416763, PMID 28819546.
Yamagishi SI, Matsui T. Advanced glycation end products oxidative stress and diabetic nephropathy. Oxid Med Cell Longev. 2010 Mar-Apr;3(2):101-8. doi: 10.4161/oxim.3.2.11148, PMID 20716934.
Jones JG. Hepatic glucose and lipid metabolism. Diabetologia. 2016 Jun;59(6):1098-103. doi: 10.1007/s00125-016-3940-5, PMID 27048250.
Stumvoll M, Goldstein BJ, Van Haeften TW. Type 2 diabetes: principles of pathogenesis and therapy. Lancet. 2005 Apr;365(9467):1333-46. doi: 10.1016/S0140-6736(05)61032-X, PMID 15823385.
Sasidharan S, Chen Y, Saravanan D, Sundram KM, Yoga Latha L. Extraction isolation and characterization of bioactive compounds from plants extracts. Afr J Tradit Complement Altern Med. 2011 Jan;8(1):1-10. doi: 10.4314/ajtcam.v8i1.60483, PMID 22238476.
Sahoo SK, Bansal M. MPPT techniques a review. AMR. 2014;1055:182-7. doi: 10.4028/www.scientific.net/AMR.1055.182.
Altemimi A, Lakhssassi N, Baharlouei A, Watson DG, Lightfoot DA. Phytochemicals: extraction isolation and identification of bioactive compounds from plant extracts. Plants (Basel). 2017 Sep;6(4):42. doi: 10.3390/plants6040042, PMID 28937585.
Kumar V, Yadav SK. Synthesis of different-sized silver nanoparticles by simply varying reaction conditions with leaf extracts of Bauhinia variegata L. IET Nanobiotechnol. 2012 Mar;6(1):1-8. doi: 10.1049/iet-nbt.2010.0015, PMID 22423864.
Allard PM, Bisson J, Azzollini A, Pauli GF, Cordell GA, Wolfender JL. Pharmacognosy in the digital era: shifting to contextualized metabolomics. Curr Opin Biotechnol. 2018 Dec;54:57-64. doi: 10.1016/j.copbio.2018.02.010, PMID 29499476.
Harborne JB. Phytochemical methods: a guide to modern technique of plant analysis champmam and hall. Vol. 3. London; 1988. p. 60-6.
Olivia NU, Goodness UC, Obinna OM. Phytochemical profiling and GC-MS analysis of aqueous methanol fraction of Hibiscus asper leaves. Futur J Pharm Sci. 2021;7(1):59. doi: 10.1186/s43094-021-00208-4.
Ullah A, Munir S, Badshah SL, Khan N, Ghani L, Poulson BG. Important flavonoids and their role as a therapeutic agent. Molecules. 2020 Nov;25(22):5243. doi: 10.3390/molecules25225243, PMID 33187049.
Lin J, Opoku AR, Geheeb Keller M, Hutchings AD, Terblanche SE, Jager AK. Preliminary screening of some traditional zulu medicinal plants for anti-inflammatory and anti-microbial activities. J Ethnopharmacol. 1999 Dec;68(1-3):267-74. doi: 10.1016/s0378-8741(99)00130-0, PMID 10624887.
Zhang X, LI G, WU D, YU Y, HU N, Wang H. Emerging strategies for the activity assay and inhibitor screening of alpha-glucosidase. Food Funct. 2020 Jan;11(1):66-82. doi: 10.1039/c9fo01590f, PMID 31844870.
Akaho E. An overview of epigenetic drugs and their virtual screening study retrieved from zinc database along with an auto dock study of the best inhibitor. Int J App Pharm. 2021 May;13(5):122-31. doi: 10.22159/ijap.2021v13i5.42275.
Lebovitz HE. Alpha-glucosidase inhibitors. Endocrinol Metab Clin North Am. 1997 Sep;26(3):539-51. doi: 10.1016/s0889-8529(05)70266-8, PMID 9314014.
Shettar AK, Vedamurthy AB. Studies on in vitro antidiabetic activities of Hopea ponga and Vitex leucoxylon. Int J Pharm Pharm Sci. 2017 Feb;9(2):263. doi: 10.22159/ijpps.2017v9i2.16280.
Ramachandran A, Snehalatha C, Shetty AS, Nanditha A. Trends in prevalence of diabetes in Asian countries. World J Diabetes. 2012 Jun 15;3(6):110-7. doi: 10.4239/wjd.v3.i6.110, PMID 22737281.
Pothireddy S, Chukka S, Shankaraiah P. Evaluation of antidiabetic antidyslipidemic and hepatoprotective activity of Homalium zeylanicum in alloxan-induced diabetic rats. Int J Res Dev Pharm Life Sci. 2014 Mar;3(3):1004-10.
Mohamed EA, Siddiqui MJ, Ang LF, Sadikun A, Chan SH, Tan SC. Potent α-glucosidase and α-amylase inhibitory activities of standardized 50% ethanolic extracts and sinensetin from orthosiphon stamineus benth as anti-diabetic mechanism. BMC Complement Altern Med. 2012 Oct;12:176. doi: 10.1186/1472-6882-12-176, PMID 23039079.
Narkhede MB, Ajimire PV, Wagh AE, Mohan M, Shivashanmugam AT. In vitro antidiabetic activity of Caesalpina digyna (R.) methanol root extract. Asian J Plant Sci Res. 2011 Feb;1(2):101-6.
Uddin N, Hasan MR, Hossain MM, Sarker A, Hasan AH, Islam AF. In vitro α-amylase inhibitory activity and in vivo hypoglycemic effect of methanol extract of Citrus macroptera Montr. fruit. Asian Pac J Trop Biomed. 2014 Jun;4(6):473-9. doi: 10.12980/APJTB.4.2014C1173, PMID 25182949.
Wenning L, Pillai GC, Knepper TC, Ilic K, Ali AM, Hibma JE. Clinical pharmacology worldwide: a global health perspective. Clin Pharmacol Ther. 2021 Oct;110(4):946-51. doi: 10.1002/cpt.2274, PMID 33893656.
Morganti S, Tarantino P, Ferraro E, D Amico P, Duso BA, Curigliano G. Next generation sequencing (NGS): a revolutionary technology in pharmacogenomics and personalized medicine in cancer. Adv Exp Med Biol. 2019;1168:9-30. doi: 10.1007/978-3-030-24100-1_2, PMID 31713162.
Kurian T. Molecular docking study of epigallocatechin gallate on flt3 in complex with gilteritinib for anticancer activity. Asian J Pharm Clin Res. 2024 Jan;17(1):5-7. doi: 10.22159/ajpcr.2024.v17i1.48733.
Kurian T. In silico screening by molecular docking of heterocyclic compounds with furan or indole nucleus from database for anticancer activity and validation of the method by redocking. Int J Pharm Pharm Sci. 2024 Apr;16(4):42-5. doi: 10.22159/ijpps.2024v16i4.50478.
Aiswariya, BVS, Satya MS. Molecular docking and admet studies of benzotriazole derivatives tethered with isoniazid for antifungal activity. Int J Curr Pharm Sci. 2022;14(4):78-80. doi: 10.22159/ijcpr.2022v14i4.2004.
Published
How to Cite
Issue
Section
Copyright (c) 2025 DIVYA MUKKA, KRISHNA PRASAD DEVARAKONDA
This work is licensed under a Creative Commons Attribution 4.0 International License.
