Synthesis and In-silico Design of Gallic Acid Derivatives


Authors : Chandan Kumar; Soumya Bharadwaj; Shivam Kumar Singh; Prince Chauhan; Kalpana; Sneep Kumar Chaturvedi; Sudhanshu Kumar Jha

Volume/Issue : Volume 8 - 2023, Issue 5 - May

Google Scholar : https://bit.ly/3TmGbDi

Scribd : https://bit.ly/42C5EfX

DOI : https://doi.org/10.5281/zenodo.7937869

One of the most widespread phenolic acids in the plant world is gallic acid, also known as 3,4,5- trihydroxybenzoic acid. It is a crystalline substance that can be white or slightly yellow and finds extensive use in the food and pharmaceutical sectors. In the current study, three gallic acid compounds were created and then assessed for in silico investigations employing (PDB ID: 3VMP). When compared to common drugs like norfloxacin, it was shown that the three synthesised gallic acid derivatives with various aromatic aldehydes as schiff bases had a higher docking score and glide energy. In addition to their antioxidant properties, the newly created novel gallic acid derivatives have been shown in in silico studies to have significant potency against a variety of bacterial and fungal diseases, making them a crucial source for new antibacterial medications that focus on bacterial and fungal diseases in the future.

Keywords : Gallic Acid; Schiff Base; Aromatic Aldehyde; 3VMP; Docking Score; Glide Energy.

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