Preliminary antibacterial evaluation of the chemical compositions in Herba pogostemonis oil

In the present study, the antibacterial tests of herba pogostemonis oil were studied by using moleculardocking technology and antibacterial test in vitro. The 3 three-dimensional (3D) structures of the 5 compared compositions and 26 compositions from herba pogostemonis oil were established by using surflex-dock software (8.1). Molecular-docking was carried out between the 31 chemical compositions (ligands) and the 5 enzymes (receptors) by using surflex-dock function. By comparing the scoring result of 26 compositions in herba pogostemonis oil with 5 compared components, we can infer antibacterial activity about 26 compositions in herba pogostemonis oil. On the other hand, six frequently-used pathogenic bacteria were selected for antimicrobial test in vitro, herba pogostemonis oil and its two major compositions: (-)-herba pogostemonis alcohol and pogostone, which their contents exceeded 60% in herba pogostemonis oil samples, were selected antibacterial agents. Minimum inhibitory concentration (MIC) and Minimum bactericidal concentration (MBC) were also determined. Molecular-docking technology and antimicrobial test in vitro all were proved that herba pogostemonis oil had strong antibacterial effects. Particularly, pogostone and (-)-herba pogostemonis alcohol have potent antimicrobial activity.