Abstract
The wide spread of multidrug resistant (MDR) bacteria is one of the global challenges of the 21st Century. The indiscriminate use, overuse and the misuse of antibiotics are the major reasons for the high rates of microbial resistance. Medicinal plants have been a valuable source of natural products for maintaining human health, and the extensive investigations for compounds with potentials have been made in the past decades with a number of discoveries. The present study focuses on identification of novel antibacterial phytochemical compounds present Terminalia arjuna (Roxb.) Wight & Arn. and Andrographis paniculata (Burm. f.) Nees by in silico analysis. The compounds were retrieved from KNApSAck database Tyrosyl-tRNA synthetase and DNA gyrase subunit b were used as target proteins. Preliminarily, the compounds were subjected to druglikness analysis. Molecular docking and protein-ligand interactions were performed to identify the compounds with higher binding energies (>-7 kcal/ mol). The selected compounds were examined for in silico ADMET analysis. Nearly, 20 phytochemical compounds were identified with higher binding energies and significant ADMET properties. These compounds can be used for development of novel antibacterial drug to overcome the multidrug resistance.