Complete ADMET Profile and Molecular Docking Analysis of Phytoconstituents of Glycyrrhiza glabra and Asparagus racemosus
Abstract
The whole study was designed to find out probable anti-diabetic potential of various phytoconstituents of Glycyrrhiza glabra and Asparagus racemosus. The study was further aimed at correlating the relationship between various phytoconstituents of both plants with major receptors playing an important role in diabetes mellitus by in silico and in vitro techniques. For in-silico all the constituents were screened by applying ADMET filters. Selected phytoconstituents were further analyzed through molecular docking. Main four PDB’s 1IR3, 1US0, 2FV6, and 20QV for Insulin receptor, Aldose Reductase, Protein tyrosine phosphatase 1 and Human Dipeptidyl Peptidase IV (DPP4), respectively considered in the study. Molegro Virtual Docker version 6.0 tool employed to carry out the whole study. In contrast to internal ligands Licoriphenone, Hyperoside, Quercetin, Licoarylcoumarin, Glyzarin, and Glabrone represent the best docking results with all the four PDB’s. In in vitro alpha-amylase inhibitory assay, both plants’ combination was examined, and results exhibited that 2:1 GAM and 1:2 GAM have higher inhibitory potential than that of individual extract in contrast standard acarbose. The whole study gives insight that both plants probably have anti-diabetic potential due to the presence of studied biomarkers.
Keywords:
MVD, antidiabetic, Insulin receptor, ADMETDOI
https://doi.org/10.25004/IJPSDR.2021.130506References
Qazi MA, Molvi KI. Herbal medicine: a comprehensive review. Int J Pharm Res. 2016;8:1-5.
Katara A, Garg,N K and Mathur M. Separation and Identification of Antidiabetic Compounds in Tinospora Cordifolia Extract and Ayurvedic Formulation Guduchi Satva by GCMS and FTIR Study With Subsequent Evaluation of in-Vitro Hypoglycemic Potential. International Journal of Pharmaceutical Sciences and Drug Research.2021; 13(2): 183-9. Available at doi:10.25004/ IJPSDR.2021.130211.
Guillausseau PJ, Meas T, Virally M, Laloi-Michelin M, Médeau V, Kevorkian JP. Abnormalities in insulin secretion in type 2 diabetes mellitus. Diabetes & metabolism. 2008;1(34):S43-8. Available at https://doi.org/10.1016/S1262-3636(08)73394-9.
Oakes ND, Cooney GJ, Camilleri S, Chisholm DJ, Kraegen EW. Mechanisms of liver and muscle insulin resistance induced by chronic high-fat feeding. Diabetes. 1997; 1 46(11):1768-74. Available at https://doi.org/10.2337/diab.46.11.1768.
Patel DK, Prasad SK, Kumar R, Hemalatha S. An overview on antidiabetic medicinal plants having insulin mimetic property. Asian Pacific journal of tropical biomedicine. 2012; 2(4):320-30. Available at https://doi.org/10.1016/S2221-1691(12)60032-X
Kharroubi AT, Darwish HM. Diabetes mellitus: The epidemic of the century. World journal of diabetes. 2015;6(6):850. Available at https://dx.doi.org/10.4239%2Fwjd.v6.i6.850.
Ahmed AM. History of diabetes mellitus. Saudi medical journal. 2002; 1 23(4):373-8.
Dei Cas A, Fonarow GC, Gheorghiade M, Butler J. Concomitant diabetes mellit us and hear t failure. Current problems in cardiology. 2015 ;40(1):7-43. Available at https://doi.org/10.1016/j. cpcardiol.2014.09.002.
Nagar R, Patel R. Anti-Diabetic Activity of Few India Indigenous Medicinal Plants. International Journal of Pharmaceutical Sciences and Drug Research. 2019;11(6): 278-83.
Jacob B, Narendhirakannan RT. Role of medicinal plants in the management of diabetes mellitus: a review. 3 Biotech. 2019; 9(1):1-7. Available at https://doi.org/10.1007/s13205-018-1528-0
Paari E, Pari L. Role Of Some Phytochemicals In The Management Of Diabetes Mellitus: A Review. Jour Med Prac Rev. 2019; 3(04).
Zahran EM, Abdelmohsen UR, Shalash MM, Salem MA, Khalil HE, Desoukey SY, Fouad MA, Krischke M, Mueller M, Kamel MS. Local anaesthetic potential, metabolic profiling, molecular docking and in silico ADME studies of Ocimum forskolei, family Lamiaceae. Natural product research. 2020; 30:1-7. Available at https://doi.org/10.108 0/14786419.2020.1719489.
Setyawan TB, Oressa E, Tamba TA, Nazaruddin YY. A Structural Output Controllability Approach to Drug Efficacy Prediction. In2019 12th Asian Control Conference (ASCC) 2019; 9 (pp. 97-102). IEEE. Available at https://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&ar number=8765157&isnumber=8764905.
Huang N, Shoichet BK, Irwin JJ. Benchmarking sets for molecular docking. Journal of medicinal chemistry. 2006; 16;49(23):6789-801. Available at https://doi.org/10.1021/jm0608356
Li JW, Vederas JC. Drug discovery and natural products: end of an era or an endless frontier?. Science. 2009; 325(5937):161-5. Available at https://doi.org/10.1126/science.1168243.
A l-Sn a f i A E . Gl yc y r rh i z a g l abr a : A phy t o c hemic a l a nd pharmacological review. IOSR Journal of Pharmacy. 2018; 8(6): 1-7.
Alok S, Jain SK, Verma A, Kumar M, Mahor A, Sabharwal M. Plant profile, phytochemistry and pharmacology of Asparagus racemosus (Shatavari): A review. Asian Pacific journal of tropical disease. 2013;3(3):242-51. Available at https://doi.org/10.1016/S2222- 1808(13)60049-3.
Mishra JN, Verma NK. Asparagus racemosus: Chemical constituents and pharmacological activities—A review. European Journal of Biomedical and Pharmaceutical Sciences. 2017; 4:207-13.
K a u r R , K a u r H , D h i n d s a A S . G l y c y r r h i z a g l a b r a : a phy topharmacolog ical rev iew. Internat ional journal of pharmaceutical Sciences and Research. 2013; 4(7):2470. Available at http://dx.doi.org/10.13040/IJPSR.0975-8232.4(7).2459-69
Wall J. Antioxidants in prevention of reperfusion damage of vascular endothelium. TSMJ. 2000 ;1:67.
Amić D, Davidović-Amić D, Bešlo D, Trinajstić N. Structure-radical scavenging activity relationships of flavonoids. Croatica chemica acta. 2003; 76(1):55-61. Available at https://hrcak.srce.hr/103057
https://pubchem.ncbi.nlm.nih.gov/
https://chemistry.com.pk/software/free-download-chemdraw-ultra-12/
http://openbabel.org/wiki/Main_Page
https://chemaxon.com/products/marvin
http://www.rcsb.org/pdb/home/home.do. [Internet].
Published
Abstract Display: 626 
PDF Downloads: 669 
