Projects per year
Allosteric modulators are of prime interest in drug discovery. These drugs regulate the binding and function of endogenous ligands, with some advantages over orthosteric ligands. A typical pharmacological parameter in allosteric modulation is binding cooperativity. This property can yield unexpected but illuminating results when decomposed into its kinetic parameters. Using two reference models (the allosteric ternary complex receptor model and a heterodimer receptor model), a relationship has been derived for the cooperativity rate constant parameters. This relationship allows many combinations of the cooperativity kinetic parameters for a single binding cooperativity value obtained under equilibrium conditions. This assessment may help understand striking experimental results involving allosteric modulation and suggest further investigations in the field.
|Journal||Drug Discovery Today|
|Publication status||Published - Feb 2023|
- allosteric modulation
- binding cooperativity
- binding kinetics
- cooperativity rate constant
- heterodimer receptor
- rate constant
- residence time
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- 2 Active
EVALUACION DE LA COMPLEJIDAD FUNCIONAL DE LOS GPCRS MEDIANTE METODOS COMPUTACIONALES: EL DOLOR CRONICO DESDE UNA PERSPECTIVA DE FARMACOLOGIA MOLECULAR
Giraldo Arjonilla, J., Romero Sánchez, D., BEDINI, A., DIAZ SANZO, O., Marín, A. R., Van Calenbergh, S., Severo Gomes, A. A. & Ortiz García, A. J.
1/09/21 → 31/08/24
Project: Research Projects and Other Grants
QSPainRelief: Effective combinational treatment of chronic pain in individual patients, by an innovative quantitative systems pharmacology pain relief approach (QSPainRelief)
Giraldo Arjonilla, J. & Renault de Barros, P. V.
1/01/20 → 31/12/24
Project: International research project