| abstract |
The invention provides a screening method for hexokinase 2 inhibitors and the application of small molecule compounds in the preparation of anti-tumor drugs. The screening method comprises: mixing candidate inhibitors with a buffer, incubating, terminating the reaction, and obtaining a post-reaction solution The buffer solution includes hexokinase 2 and glucose; the solution after the reaction is mixed with an equal volume of glucose- 1-13C to obtain the analyte; the analyte is added dropwise to the surface of the graphite structure nanomaterial matrix , and after drying, MALDI-MS detection and screening were performed to obtain a hexokinase 2 inhibitor. This method uses graphite structured nanomaterials as the matrix, combined with MALDI-MS detection, ultra-fast screening and detection (1836 samples were analyzed within 5.1 hours); a series of small molecule drugs with high activity of inhibiting brain tumor growth were obtained; small molecule drugs were docked Pharmacodynamic analysis/pharmacokinetic testing without transferring to other testing platforms. |