Exploring The Molecular Mechanism Of Professor Qiu Heming's Herbal Recipe In Treating ITP Based On Molecular Docking

ObjectiveTo summarize Professor Qiu Heming' s medical experience for primary immune thrombocytopenia(ITP),verify its effectiveness,and explore its therapeutic material basis and molecular mechanism by virtual screening the effective chemical compounds of the most used herbals in the treatment of ITP.MethodsIn the clinical research,41 patients of ITP were collected,who were treated by professor Qiu Heming for more than three month.And all the herbal recipes during the treatment were collected and analyzed,before and after the treatment,index including TCM syndrome grade,bleeding score and platelet count were observed to testify the effectiveness of the treatment.After counting the frequency of the herbal,chemical compounds of the twenty most used herbals were selected from TCMSP based on the standard:OB?30%? DL?0.18.Meanwhile,according to the pathogenesis and the therapeutic targets of ITP,target proteins were chosen from the DrugBank and TTD,and their structures were downloaded from the PDB.Later,the software Autodock Vina were applied for the molecule docking of the selected chemical compounds and target proteins.Based on the result of the molecule docking,DTN?DDN?TTN were constructed and analyzed,which help filer the chemical compounds and discover those contribute most in the treatment of ITP.Results1.After the treatment,the platelet counts were improved,and the difference was statistically significant(p 0.05).2.After the treatment,both the TCM syndrome grade and the bleeding score were decreased,and the difference was statistically significant(p<0.05).3.Based on the modern medicine' s standards,the evaluation of the treatment' s curative effect shows that:12 cases effective(29.3%),29 cases of invalid(70.7%),0 cases completely effective.4.Based on the traditional Chinese medicine' s standards,The evaluation of the improvement of TCM syndrome grade show that:33 cases completely effective(80.5%)and 8 cases effective(19.5%).5.The 20 most used of herbals were the agrimony,the dioscorea root,and the cornus etc.6.According to the standard:OB?30%and DL?0.18,52 effective chemical compounds were selected.7.After construing the network DTN?TTN?DDN and analyzing their network topology characteristics,six chemical compounds that might pay the most important roles in the treatment of ITP were found,including linarinin,diosgenin etc.Conclusion:1.Professor Qiu Heming' s treatment of ITP can improve the main clinical symptoms and life quality of ITP patients.2.Molecular docking was effectively predicted that the therapeutic benefits of the most used herbals in treatment of ITP by Professor Qiu Heming might mainly related to the effect of linarinin on the phagocytes of platelets,regulating the immune function of the B cells and promoting the effect of clotting.