Molecular Docking
Studies to explore Potential Drug for Diabetic Kidney Disease
Sinnur Deepa, Bulagouda R.S., Parvatikar Prachi P., Kadakol G.S. and Bhosale Supriya
Res. J. Biotech.; Vol. 20(6); 19-24;
doi: https://doi.org/10.25303/206rjbt019024; (2025)
Abstract
The kidney is the organ most susceptible to microvascular damage caused by diabetes.
Many individuals with diabetes are susceptible to developing kidney disease due
to their medical condition or additional co-morbidities such as hypertension and
age-related nephron loss. The computational analysis of protein-ligand interactions
has gained significant importance in elucidating the functional properties of both
ligands and proteins. This work conducts molecular docking and molecular dynamic
simulation studies on some pharmacological compounds used to treat diabetic kidney
disease (DKD). The analyses focus on the interactions between these drug molecules
and essential functional proteins, namely ABCA1, LXR α, ACE, GLP1, PKC and VEGF.
The binding energy of nintedanib with all substances exhibits the lowest binding
energy and a strong affinity towards all protein molecules. The present study's
findings indicate that the medicinal molecule nintedanib exhibits substantial affinity
for the functional protein associated with diabetic kidney disease (DKD), suggesting
its potential utility as a therapeutic intervention for this condition.
