Virtual screen of effective AChE inhibitory constituents from Glycyrrhizae Radix et Rhizoma based on pharmacophore and molecular docking / 中国中药杂志

This research is to predict anti-Alzheimer's disease active constituents on the target of acetylcholinesterase(AChE) from Glycyrrhizae Radix et Rhizoma with the help of pharmacophore and molecular docking. AChE ligand-based pharmacophore model was set up and the molecular library of the constituents from Glycyrrhizae Radix et Rhizoma were established by collecting literature. Then the constituents from Glycyrrhizae Radix et Rhizoma were screen for the potential AChE inhibitory potency in silico through matching with the best pharmacophore model. The flexible docking was used to evaluate the interactions between compounds screened from pharmacophore model and AChE protein(PDB ID:4 EY7). The interactions were expressed including but not limited to CDOCKER interaction energy, hydrogen bonds and non-bonding interactions. The molecular library of Glycyrrhizae Radix et Rhizoma contains 44 chemical constituents. As for the pharmacophore model, six kinds of potential AChE inhibitory constituents from Glycyrrhizae Radix et Rhizoma were considered to be the promising compounds according to the results of searching 3 D database of pharmacophore model. The molecular docking was possessed and the interaction patterns were given to show the detail interactions. The compounds screening from the pharmacophore model were consistent with the existing studies to some degree, indicating that the virtual screen protocols of AChE inhibitory constituents from Glycyrrhizae Radix et Rhizoma based on pharmacophore and molecular docking was reliable.

Study on tissue culture of Bolbostemma paniculatum / 中国中药杂志

<p><b>OBJECTIVE</b>To study the method of callus induction and culturing of Bolbostemma paniculatum and its relationship with accumulation of tubeimoside.</p><p><b>METHOD</b>Stem and leaf were selected as explants. The effects of growth substances and their combinations at different concentrations on callus formation and propagation on MS and B5 basic medium were studied.</p><p><b>RESULT</b>The optimal compositions of medium that induced calli from stems and leaves were the MS medium supplemented with 2,4-D 2.0 mg x L(-1), NAA 0.5 mg x L(-1) and BA 1.0 mg x L(-1) and the MS medium supplemented with 2,4-D 0.5 mg x L(-1) and NAA 2.0 mg x L(-1), respectively. The calli cultured on the MS medium supplemented with 2,4-D 2.0 mg x L(-1), NAA 0.5 mg x L(-1) and BA 1.0 mg x L(-1) were optimal for the accumulation of tubeimoside. A uniform and stable callus line could be formed from the calli cultured repeatedly on B5 medium supplemented with 2,4-D 2.0 mg x L(-1), NAA 0.5 mg x L(-1) and BA 1.0 mg x L(-1).</p><p><b>CONCLUSION</b>Using stem and leaf as explants, the method of the callus induction and culture of B. paniculatum was established and it could provide some references for the production of tubeimoside by tissue and cell culture.</p>