European Journal of Biomedical and Pharmaceutical Sciences

IN SILICO EVALUATION OF PHYTOCONSTITUENTS OF SANJEEVI CHOORNAM THROUGH MOLECULAR DOCKING AND ADME ANALYSIS AGAINST PROTEINURIA

V. Manikandaprabu*, P. Dharani, M. Santhiya, K. Vignesh

ABSTRACT

Background and Objective: Proteinuria is a major clinical manifestation of renal dysfunction and an important predictor of chronic kidney disease progression. Nephrin, a key structural protein of podocytes, and Angiotensin-Converting Enzyme (ACE), a crucial component of the renin–angiotensin system, play significant roles in the development of proteinuria. Sanjeevi Choornam, a traditional Siddha herbal formulation, has been used for the management of renal disorders. The present study aimed to evaluate the molecular docking interactions and ADME profiling of selected phytoconstituents of Sanjeevi Choornam against Nephrin and ACE using computational approaches. Materials and Methods: Selected phytoconstituents of Sanjeevi Choornam were subjected to molecular docking analysis against Nephrin and ACE target proteins using Auto Dock Vina. The binding affinities of the phytocompounds were compared with standard drugs Losartan for Nephrin and Enalapril for ACE. Molecular interactions, binding energies, and amino acid residues involved in ligand–protein interactions were analyzed. Pharmacokinetic and drug-likeness properties were evaluated using SwissADME. Results: The selected phytoconstituents exhibited significant binding affinity towards both Nephrin and ACE proteins. Several compounds demonstrated stronger or comparable binding affinities compared to the standard drugs Losartan and Enalapril. The docked compounds formed stable hydrogen bonds and hydrophobic interactions with key active-site residues, indicating potential nephroprotective activity. ADME analysis revealed favorable pharmacokinetic properties, including good gastrointestinal absorption, acceptable bioavailability, and acceptable drug-likeness characteristics. Conclusion: The findings suggest that the phytoconstituents present in Sanjeevi Choornam possess promising nephroprotective potential through effective interactions with Nephrin and ACE, key molecular targets involved in proteinuria. The observed docking scores, comparable to those of Losartan and Enalapril, together with favorable ADME properties, support the therapeutic potential of Sanjeevi Choornam in the management of proteinuria. Further experimental and clinical studies are required to validate these findings.

Keywords: Proteinuria, Sanjeevi Choornam, Molecular Docking, ADME Profiling, Nephrin, ACE, Losartan, Enalapril, Siddha Medicine.