Phytochemical Investigation Molecular Docking Studies On Traditional Medicinal Plant Extracts And Its Antimicrobial Activity Against Multi Drug Resistant Clinical Pathogens

Abstract

Introduction: The emergence of drug-resistant bacteria has led to the search for newer plant derived antimicrobial agents with fewer side effects. The present study was designed to assess the antimicrobial activity of traditional medicinal plant extracts against drug-resistant bacterial isolates. Methods: Methanol, ethanol, acetone, and chloroform extracts of Ricinus communis, Andrographis paniculata, and Withania somnifera were prepared by cold percolation method. Antibacterial activity was evaluated using agar well diffusion and MIC. GC-MS was done for the methanolic extracts of 3 plants. Molecular docking and pharmacophore studies were done. Result: Methanolic extracts of all plants exhibited better antibacterial activity. GC-MS separates efficient compounds. Docking scores were higher than that of the standard antibiotic and antiviral agents. Conclusion: Our study suggests that the best docked phytochemical compounds were APC 4, WSC-31, and WSC-39, which were obtained based on ADMET properties, and Lipinski s rule as well as DFT studies. These compounds could be employed as an alternative therapeutic agent to treat bacterial and HIV infections. newline