Synergistic target network construction and dynamic simulation analysis based on a prospective systems pharmacology...

Area of Science:

• Traditional Chinese Medicine
• Pharmacology
• Computational Biology

Background:

• Type 2 diabetes mellitus (T2DM) is a complex metabolic disorder with significant health implications.
• The therapeutic mechanisms of Sang Huang, a medicinal fungus, for T2DM are not well understood.
• Identifying novel therapeutic strategies for T2DM is crucial.

Purpose of the Study:

• To investigate the therapeutic potential and underlying mechanisms of Sang Huang in T2DM using network pharmacology.
• To validate predicted targets through molecular docking and simulations.
• To elucidate the anti-diabetic effects of Sang Huang's active components.

Main Methods:

• Network pharmacology was employed to identify key targets and pathways.
• Molecular docking and molecular dynamics simulations were used for validation.
• Analysis focused on the effects of estradiol dipropionate (EDP) and its metabolites.

Main Results:

• Estradiol dipropionate (EDP) demonstrated anti-T2DM effects, primarily through the PI3K-Akt pathway.
• EDP metabolism to estradiol activated estrogen receptors, enhancing glucose-lipid metabolism and insulin sensitivity.
• EDP promoted GLUT4 expression via the AMPK pathway, improving glucose uptake and homeostasis.

Conclusions:

• Sang Huang's active components, particularly EDP, show promise for T2DM treatment.
• The study identified key molecular targets and signaling pathways involved in Sang Huang's anti-diabetic effects.
• Further experimental validation is warranted to confirm these findings and therapeutic potential.