Abstract
Objective: The purpose of this study was to investigate the diabetic effect of phytocompounds isolated from Cressa cretica Linn. using spectroscopic analysis and molecular docking studies.
 Methods: Coarse powder of the whole plant of C. cretica was extracted with methanol, extracted part was subjected to silica column isolation, and two compounds: 2-Isopropyl-4-(1-methyl-dodeca-2,4-dienyloxy)-benzene-1,3,5-triol (Compound CN-01) and 11-Methyl-dodeca-2,4,6,8,10-pentenoic acid 2,3-dihydroxy-5-methyl-phenyl ester (Compound CN-02) were isolated in pure form. The three-dimensional structure of target protein was downloaded from PDB (www.rcsb.org) Protein Data Bank, Ligand file CN – 01 and CN – 02 were converted to MDL Molfile (V2000) format using ChemSketch 2017.2.1. These files could not be used directly in AutoDock 4.0 tools; thus, they were first converted to PDB files using an open babel tool.
 Results: Compounds were revealed through spectroscopic analysis and screened using AutoDock 4.0 tools. Docking study recommended that CN – 01 and CN – 02 an existing phytochemical from the plant of C. cretica had the highest fitness docking score and hence could be a potent antidiabetic drug.
 Conclusion: In this investigation, we docked the receptor (glycogen phosphorylase protein) holds a promising lead target formation against diabetes based on molecular docking analysis (minimum hydrogen bond length and maximum docked score). Thus, these compounds can be effectively used as drugs for treating diabetes which is predicted on the basis of docking scores.
Highlights
Diabetes mellitus is a heterogeneous metabolic disorder characterized by the common feature of chronic hyperglycemia with disturbance of carbohydrate, fat, and protein metabolism [1,2,3,4] and by complications such as microvascular and macrovascular complications [5]
A worldwide survey has reported that diabetes mellitus affects nearly 10% of the population [6]
Phytochemicals were obtained from the whole plant of C. cretica by column chromatography
Summary
Diabetes mellitus is a heterogeneous metabolic disorder characterized by the common feature of chronic hyperglycemia with disturbance of carbohydrate, fat, and protein metabolism [1,2,3,4] and by complications such as microvascular and macrovascular complications [5]. Available synthetic antidiabetic agents produce serious side effects such as hypoglycemic coma and hepatorenal disturbances. Patients are using herbal medicines which have fewer side effects and have the potential to impart therapeutic effect in complicated disorders such as diabetes and its complication [9,10,11,12]. Plants are well known in traditional herbal medicine for their hypoglycemic activities and available literature indicates that there are more than 800 plant species showing hypoglycemic activity. There has been increasing demand for the use of plant products with antidiabetic activity due to low cost, easy availability, and lesser side effects. One such plant is Cressa cretica Linn. The plant is traditionally used in Bahrain as expectorant and antibilious agent [17]
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