Evaluation of effectiveness-cytotoxicity correlation and optimization of druggability for activity-based poisonous Chinese materia medica with antitumor activity / 中草药

ABSTRACT

The antitumor activity of the constituents from poisonous Chinese materia medica (CMM) is very strong, but mainly mediated by their unforeseeable cytotoxic effects, which results in increasingly prominent security issues in clinic. To improve the druggability of these drugs, it is urgent to put much attention on the effectiveness-cytotoxicity correlation study. Activity-based protein profiling can realize the discovery of pharmacological and cytotoxic information and drug design under the guidance of chemicals activity. In view of the promiscuity of natural chemicals, we utilize the method of comparative targets profile to calculate and seek druggable targets in biological networks for drug structure optimization. In conclusion, we take the loop mode of drug→disease→target→drug method, hoping to provide the reference for the research and development of new drug with high efficiency and low toxicity from poisonous CMM.