• Swati Jayswal

In-silico analysis refers to experiments performed using computers or computer simulation. In-silico approaches gives feasible solution to the experimental methods which are used to characterize the proteins of different organisms which involves too much time, high cost and the certainty that these methods are not acquiescent to high throughputs of techniques. It is a process to analyze and study the interaction between a ligand and a protein molecule at a target specific region of the receptor protein. It is useful in the analysis of non-covalent bonds that form a stable complex of potential efficacy and more specificity. The primary objective of molecular docking is to hypothesize a ligand receptor complex with optimal conformations along with a valid binding free energy. Molecular docking of two selected ligands (gallic acid and quercetin) with target proteins attributed to antibacterial, antifungal and antioxidant activities belongs to selected allium species was carried out. This study presented the positive results by binding of ligands to target proteins.

Molecular docking, Protein, Ligand, antioxidant, antibacterial, antifungal

"AN APPROACH OF INSILICO ANALYSIS: MOLECULAR DOCKING OF PHYTOCHEMICALS BELONG TO SELECTED ALLIUM SPECIES", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.11, Issue 4, page no.o687-o696, April-2024, Available :http://www.jetir.org/papers/JETIR2404F95.pdf

"AN APPROACH OF INSILICO ANALYSIS: MOLECULAR DOCKING OF PHYTOCHEMICALS BELONG TO SELECTED ALLIUM SPECIES", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.11, Issue 4, page no. ppo687-o696, April-2024, Available at : http://www.jetir.org/papers/JETIR2404F95.pdf