Research article


Inavolu Srinivasa Chakrapani, Dr Ghanshyam Vatsa, Dr. Anil Kumar, Dr. P. Muthu Pandian, A. Indira Priyadarsini, A. Indira Priyadarsini, Sumanta Bhattacharya

DOI: 10.5281/zenodo.7380013

Online First: November 15, 2022

The issue of bacterial diseases is spreading throughout the globe. It is now recognised that bacterial diseases kill more people each year than malaria. Ayurvedic medicine was among the most effective treatments for bacterial infections in antiquity. It was discovered that the plant Malabar nut has a variety of pharmacological qualities after studying the most recent survey on the plant with antibacterial activity. The plant, which is an Acanthaceae member and was endemic to India, was known by the common name Adusa. Through a review of the literature, 102 phytochemical components from the Malabar nut plant were found for the present study project. Only 84 substances have their two-dimensional structure determined using PubChem databases. These compounds were subjected to virtual screening, the results of which indicated that only 28 compounds would be found to contain active drug molecules. Most of the bacterial illnesses that affected humans were brought on by the bacterial protein Cytochrome P450 14-alpha-sterol demethylases (CYP51). The three-dimensional protein structure was acquired from PDB databases and then utilised for the docking procedure. Using docking tools, only 1 chemical, out of 28, predicted the optimal binding relationship with the protein.


Malabar nut, Antibacterial activity, Phytochemical, Protein Cytochrome P450 14-alpha-serol demethylases, Docking