Mechanism of intellectual disability and disulfide death and the prediction of potential targeted Chinese medicine
Objective To explore the relationship between intellectual disability and disulfide death,and provide a new direction for the treatment of intellectual disability.Method The disulfide death genes associated with intellectual disability were identified by the data set of intellectual disability in GEO database(GSE64380)and combined with disulfide death genes in iron death database.Multi-factor Logistic analysis,LASSO regression model and random forest model(combined with SHAP algorithm)were used for machine learning.In DCABM-TCM database,confidence score 0.90(LR=124)was used as the screening criterion to identify the active compounds related to disulfide death genes.The medicinal properties(DL)and oral bioavailability(OB)of the active compounds were searched in TCMSP database for molecular docking.Result After multivariate Logistic analysis,LASSO regression model and random forest model(combined with SHAP algorithm)comprehensive analysis,ACTC1 was finally determined to be the key gene of disulfide death related to intellectual disability.The results of molecular docking showed that ACTC1 had good binding with cyclonic acid,D-mannoside,β-lactose,D-glucopyranose and β-D-fructose furan.According to the values of DL and OB,D-glucopyranose and β-D-fructofuran were identified as the most potential active compounds in Chinese medicine.Whole lentil plants were identified as potential Chinese medicinal materials for study.Conclusion ACTC1 has been identified as a key gene associated with intellectual disabilities and disulfide death,while the active compounds D-pyranose glucose and β-D-fructofuranose in lentils are considered potential therapeutic agents.
NETL
NSTL
万方数据
