Rajeev Kumar Singla and Ashok Kumar Dubey* Pages 419 - 442 ( 24 )
Background: Drugs with post-prandial action constitute one of the main courses of treatments for diabetes.
Objective: In the present investigation, we have explored the α-amylase inhibitory potential of ethanolic extract of Cocos nucifera endocarp.
Methods: DNS based assay was done to assess the α-amylase inhibition potential of ethanolic extract. Phytochemical screening and GC-MS analysis were done in order to assess the chemical profiling of extract. In silico docking studies were done using VLife MDS 4.6 software and the probable molecules, predicted after GC-MS analysis, were docked with the co-crystallized (acarbose) tracked active site and rest all cavities of porcine pancreatic α-amylase (1OSE). ADMET analysis was done using StarDrop 6.4, Derek Nexus and P450 Modules from Optibrium Ltd. and LHASA Ltd.
Results: DNS based α-amylase assay indicated that the IC50 value of extract lies in the range of 63- 126 µg/ml and at higher doses, i.e. above 250 µg/ml, it has better α-amylase inhibition than the standard drug, acarbose. Phytochemical screening indicated that ethanolic extract is rich in alkaloids, tannins, flavonoids, saponins, triterpenes, glycosides, carbohydrates, terpenoids, quinones and lactones. Further, GC-MS analysis (where Similarity Index was > 90) predicted that the probable phytoconstituents present in the ethanolic extract are myristic acid, syringaldehyde, eugenol, vanillin, 2,4-di-tert-butylphenol, lauric acid, palmitic acid methyl ester and γ-sitosterol. γ-Sitosterol showed the strong affinity towards the active site which was tracked by a co-crystallized ligand along with cavity 1 and 2 while significant interactions were observed in case of co-crystallized tracked active site as well as cavity 4 of 1OSE. Ethanolic extract of C. nucifera has no hemolytic effect.
Conclusion: Its ability to effectively inhibit α-amylase may be attributed to the presence of the above probable molecules, which will be explored further.
Coconut, hard shell, antidiabetic, hypoglycaemic activity, medicinal plant, ADMET studies.
Division of Biological Sciences and Engineering, Netaji Subhas University of Technology, New Delhi-110078, Division of Biological Sciences and Engineering, Netaji Subhas University of Technology, New Delhi-110078