• Mr Satish Yeshwantrao Mane

Abstract: In this article we were computationally analyzed the bioactive phytochemical from neem plant namely Quercetin, Catechin, Curcumin, Resveratrol and Eugenol showing antibacterial activity similar to that of inhibitors drug molecule. The docking study was performed using the docking software maestro 12.5 which shows that the phytochemicals exhibit the docking score nearly equal to the score of reference ligand. Hence these phytochemicals may be an alternative for inhibitor drug in future.

Keywords: Molecular Docking, Ligand, Protein, Phytochemicals, Bioactive.

"In Silico Identification of Potential Bioactive Agents from Azadirachta indica plant in E. coli DNA Gyrase B 24 kDa ATPase domain against inhibitor 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.12, Issue 4, page no.m539-m542, April-2025, Available :http://www.jetir.org/papers/JETIR2504C74.pdf

"In Silico Identification of Potential Bioactive Agents from Azadirachta indica plant in E. coli DNA Gyrase B 24 kDa ATPase domain against inhibitor 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.12, Issue 4, page no. ppm539-m542, April-2025, Available at : http://www.jetir.org/papers/JETIR2504C74.pdf