Multi-target Prediction of Neuroprotective Drugs, Synthesis, Assay, and Theoretical Study of Rasagiline Carbamates

Abstract: In this work, we developed a multi-target model for neuroprotective compounds reported in the CHEMBL database. The model predicted correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80-90% in training and external validation series. This is model can different outcomes for >30 experimental measures in >400 different experimental protocols and related to >150 molecular and cellular targets present in 11 different organisms (including human). After that, we reported by the first time, the synthesis, characterization, and experimental assays of new series of chiral 1,2-rasagiline carbamate derivatives; not reported in previous works. This work is a synopsis of the results presented in our previous paper: Int J Mol Sci. 2014 Sep 24;15(9):17035-64. doi: 10.3390/ijms150917035.