Identification of potential anti-hyperglycemic compounds in ethyl acetate extract: and studies.

has been long known for valuable health benefits by folk experience and was recently reported with diabetes-tackling evidences, thus deserving extending efforts on screening for component-activity relationship. In this study, experiments were carried out to find the evidence, justification, and input for computations on the potential against diabetes-related protein structures: PDB-4W93, PDB-3W37, and PDB-4A3A. Liquid chromatography identified 14 bioactive compounds in the ethyl acetate extract (-) and quantified the contents of cordycepin (0.11%) and adenosine (0.01%). Bioassays revealed the overall potential of the extract against -amylase (IC = 6.443 ± 0.364 mg.mL) and -glucosidase (IC = 2.580 ± 0.194 mg.mL). A combination of different computational platforms was used to select the most promising candidates for applications as anti-diabetic bio-inhibitors, i.e. (ground state: -888.49715 a.u.; dipole moment 3.779 Debye; -12.3 kcal.mol; polarizability 34.7 Å; log - 1.30), (ground state: -688.52406 a.u.; dipole moment 5.487 Debye; -12.6 kcal.mol; polarizability 24.9 Å; log - 3.39), and (ground state: -1460.07276 a.u.; dipole moment 3.976 Debye; -12.5 kcal.mol; polarizability 52.4 Å; log - 4.39). The results encourage further experimental tests on cordycepin (), mannitol (), and adenosylribose () to validate their in-practice diabetes-related activities, thus conducive to hypoglycemic applications.Communicated by Ramaswamy H. Sarma.