Seybold Report ISSN: 1533-9211
Vishnudas D and Danie Kingsley J
Department of Integrative Biology, School of Bio Sciences & Technology (SBST),
Vellore Institute of Technology (VIT), Vellore
Email: daniekingsley@gmail.com
Vol 17, No 09 ( 2022 ) | DOI: 10.5281/zenodo.7089063 | Licensing: CC 4.0 | Pg no: 1039-1057 | Published on: 17-09-2022
Abstract
Asparagus racemosus plant fresh root sample was screened for phytochemical constituents that were found to be effective against E.coli, Pseudomonas aeruginosa, and Staphylococcus aureus with zone of inhibition of 16mm, 15mm, and 14mm. The Green synthesized nanoparticles were characterized using UV (Peak at 445nm confirmed the presence of silver nanoparticles), FTIR (The N-H and C-O stretching of the aromatic amine groups with the peak at 1631.78cm-1, 1400.32cm-1, 1080. 14cm-1 indicated the presence of silver nanoparticles), XRD (confirmed the crystal structure of the silver nanoparticles),HR-SEM (Spherical shaped nanoparticles ranging from 32.6nm to 150nm). Molecular docking analysis using iGEMDOCK of phytoligands against target glycoprotein for anti-cancer (30WJ), anti-inflammatory (4COX),the anti-bacterial (3UX) and antiviral (GP120) activities were performed and bioactive compound Shatavarin exhibited best antibacterial (-107.944), anti-cancer (-118.366), antiviral (-107.169), anti-inflammatory (-172.98) activities. ADME screening was performed for drug worthiness of the phytoligands of Asparagus racemosus which also confirms to Lipinski rule 5. The phyto ligand Shatavarin is a notable drug candidate for further analysis.
Keywords:
Asparagus racemosus, iGEMDOCK, PyMOL, QSAR, ADMET.