ESTUDIO IN SÍLICO DE LAS PROPIEDADES FARMACOCINÉTICAS Y FARMACODINAMICAS DE 4-TIAZOLIDINONAS N-ALQUILSUSTITUIDAS SOBRE LA PROTEÍNA CDPK1 DE TOXOPLASMA GONDII.

There is an important activity of 4-thiazolidinone derivatives on the active site of protein kinases of the parasite Toxoplasma gondii. The calcium-dependent protein kinase CDPK1 is an important object of study, due to its activity in host cell invasion and parasite motility. Twelve structural modifications with alkyl, aromatic and bumpedkinase substitutions at position 3 of the 2-hydrazono-4-thiazolidinone derivative were proposed. A molecular docking and ADME-T properties study was carried out, where derivatives 8A, 2B and 3C presented low binding energy scores (-9.51, -9.19, -10.58) Kcal/mol respectively, a good toxicological profile and no violation of Lipinski's rules being candidates for synthesis for in vivo evaluation. [ABSTRACT FROM AUTHOR]