In silico and in vitro investigation of the role of Asparagus racemosus lead compound Shatavarin IV and associated silver nanoparticles

Abstract

Antibiotic-resistant microbes are a global threat, necessitating the need for new antibacterials. Bioactive compounds obtained from Asparagus racemosus and silver nanoparticles synthesized from it were tested for antibacterial activity. The nanoparticles exhibited a UV absorbance peak at 415nm. SEM image revealed elliptical nanoparticles from 32.6 nm to 78.6 nm while the FTIR study of aromatic amine N-H and C-O stretching indicates the stability of the silver nanoparticle. Zeta potential and XRD tests confirmed the presence of silver nanoparticles in the root extract under stable conditions. Methanolic root extract and silver nanoparticles were found to be very effective against Bacillus subtilis (20mm), Salmonella typhimurium (20mm), Escherichia coli (20mm), Klebsiella pneumoniae (18mm), Staphylococcus aureus (17mm) and Pseudomonas aeruginosa (15mm) in comparison to ampicillin. AutoDock Tools 1.5.7 was used to perform molecular docking of Shatavarin IV against target proteins involved in breast cancer (PDB ID: 3O96), bacterial infections (PDB ID: 2ZCO), viral infections angiotensin (PDB ID: 4APH) and inflammation (PDB ID: 7PHS). The respective best docking scores are -18.66, -18.07 -14.57 and -15.84 Kcal/Mol respectively. Sarsasapogenin and Kaempferol also showed favorable docking scores with specific target proteins. Shatavarin IV is found to target amino acid(s) and the standard drugs of each category such as Remdesivir for viral, Diclofenac for inflammation, Tamoxifen for cancer and Plazomicin for bacterial infections. This study reveals that Asparagus racemosus bioactive compound Shatavarin IV is a suitable lead compound for the treatment of cancer, viral, bacterial infections and inflammatory conditions.