Comparative Computational Analysis of Antidiabetic Potential of Diosgenin, Costunolide and Eremanthin from Costus speciosus (Sri Lankan Thebu)

Costus speciosus is a medicinal plant used in Eastern medicine (also known as Asian medicine) due to its phytochemical content, which has been shown to significantly lower blood sugar levels in diabetic patients. The primary objective of this study was to conduct a comparative analysis of the antidiabetic potential of diosgenin, costunolide and eremanthin from Costus speciosus, in comparison to the standard drug, acarbose. Molecular docking studies revealed that diosgenin exhibited the highest potential as a natural antidiabetic agent by inhibiting four diabetic-regulating enzymes with docking score values ranging from -9.33 to -10.43 kcal/mol. Diosgenin also met Lipinski’s rules with minimal violations, supporting its potential as a drug candidate. In silico ADMET analysis indicated that diosgenin had a favourable P value (5.01), suggesting high lipophilicity and membrane permeability. Toxicity analysis classified diosgenin in toxicity class 6 based on its LD50 value of 8000 mg/kg, indicating its potential as a safe and effective antidiabetic drug.