Abstract:
Type 2 Diabetes Mellitus (T2DM), a kind of Diabetes Mellitus (DM), is emerging as a
challenging global epidemic. Genetic predisposition, sedentary lifestyle, imbalanced diet,
and obesity play a major role in the development of T2DM. Antioxidant assays like
DPPH and FRAP were conducted to evaluate and compare the antioxidant potential of C.
diurnum ethanolic extract with ascorbic acid, along with protein denaturation inhibition
assay to determine its anti-inflammatory activity in comparison to Ansaid. Alpha amylase
inhibition assay was performed to estimate anti-diabetic effect of this extract with
reference to acarbose. Hemolytic toxicity was also determined to calculate the safe
dosage for consumption as a possible drug candidate. HUB genes were shortlisted
through cytoHubba algorithms, and 2 top scoring genes were selected i.e., JNK-1 and
AKT-1. ADME/T and hERG, CYPs filters were used to remove potential toxic
compounds from GC-MS resulting plant compounds list and 6 possible drug candidates
were obtained. 2 of these compounds, 1H-Pyrazole-1-acetic acid, 5-amino-3,4-dicyano-,
ethyl ester and dl-4-Phenyl-dl-glutamic acid, showed promising docking and simulation
results with JNK-1 and AKT-1, respectively. Commercial inhibitors were also subjected
to similar conditions to compare plant compounds’ activity with already known
inhibitors. This showed dl-4-Phenyl-dl-glutamic acid to have similar binding affinity for
AKT-1 as its inhibitor while 1H-Pyrazole-1-acetic acid, 5-amino-3,4-dicyano-, ethyl ester
showed slightly lesser affinity to JNK-1 than the inhibitor. Further testing is required to
check these compounds for their efficiency as drug candidates against these proteins for
the treatment of T2DM
