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 molecular- docking 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.