Artículo
Experimental-Theoretic Approach to Drug-Lymphocyte Interactome Networks with Flow Cytometry and Spectral Moments Perturbation Theory
Autor
TENORIO BORROTO, ESVIETA; 335911
RIVERA RAMIREZ, FABIOLA; 131095
VAZQUEZ CHAGOYAN, JUAN CARLOS; 120705
MONTES DE OCA JIMENEZ, ROBERTO; 14327
Garcia-Mera, Xerardo;#0000-0001-5218-6351
GONZALEZ DIAZ, HUMBERTO;x1342236
TENORIO BORROTO, ESVIETA
RIVERA RAMIREZ, FABIOLA
VAZQUEZ CHAGOYAN, JUAN CARLOS
MONTES DE OCA JIMENEZ, ROBERTO
Garcia-Mera, Xerardo
GONZALEZ DIAZ, HUMBERTO
Institución
Resumen
Modelos matematicos y citometria de flujo Abstract: We can combine experimental techniques like Flow Cytometry Analysis (FCA) with Chemoinformatics methods to predict the complex networks of interactions between organic compounds and targets in the immune system. In this work, we determined experimentally the values of EC50 = 17.82 μg/mL and Cytotoxicity = 20.6 % for the antimicrobial / anti-parasite drug Dermofural over Balb/C CD9 lymphocytes using flow cytometry. After that, we developed a new Perturbation-theory model for Drug-Cell Target Interactome in Lymphocytes based on dispersion-polarization moments of drug structure. The models correctly classifies 34591 out of 42715 (Accuracy = 80.9%) cases of perturbations in assay endpoints of 11492 drugs (including both train and validation series). Each endpoint correspond to one out of 2616 assays, 38 molecular and cellular targets, 77 standard type measures, in four possible (human and rodents CONACYT