@RS_Chemist@LatinXChem@udeatlantico@oicamachor (3/3) With these calculations, we want to determine if the molecules studied are admissible compounds to drugs in order to improve the currently existing pharmacological treatments.
Saludos @LatinXChem comparto mi proyecto “Evaluación in silico de la propiedad coagulante de eicosanoides tromboxánicos sobre trombina” desarrollada en el Grupo de Inv. Fitoquímica (GIF-UdelA) de @udeatlantico, dirigido por @oicamachor para #LatinXChem24#LatinXChemComp ¡Gracias!
@RS_Chemist@LatinXChem@udeatlantico@oicamachor (2/3) Regarding the observables predicted in silico, we mainly focused on pharmacokinetics and toxicological variables and also predictions on medicinal chemistry, synthetic accessibility and target-ligand interactions of the thromboxanes studied.
@RS_Chemist@LatinXChem@udeatlantico@oicamachor Hi Rocío, thank you very much for your kind question. This work is entirely in silico, but we want to colaborate with experimental groups in order to gain insights on the pharmacological properties of the molecules studied. (1/3)