Molecular determinants of the kinetic binding properties of antihistamines at the histamine H1 receptors was written by Akimoto, Hayato;Uesawa, Yoshihiro;Hishinuma, Shigeru. And the article was included in International Journal of Molecular Sciences in 2021.Related Products of 83799-24-0 The following contents are mentioned in the article:
The binding affinity of ligands for their receptors is determined by their kinetic and thermodn. binding properties. Kinetic analyses of the rate constants of association and dissociation (kon and koff, resp.) of antihistamines have suggested that second-generation antihistamines have a long duration of action owing to the long residence time (1/koff) at the H1 receptors. In this study, we examined the relationship between the kinetic and thermodn. binding properties of antihistamines, followed by an evaluation of the structural determinants responsible for their kinetic binding properties using quant. structure-activity relationship (QSAR) analyses. We found that whereas the binding enthalpy and entropy might contribute to the increase and decrease, relationship in the koff values, there was no significant relationship with the kon values. QSAR analyses indicated that kon and koff values could bedetd. by the descriptors FASA_H (water-accessible surface area of all hydrophobic atoms divided by total water-accessible surface area) and vsurf_CW2 (a 3D mol. field descriptor weighted by capacity factor 2, the ratio of the hydrophilic surface to the total mol. surface), resp. These findings provide further insight into the mechanisms by which the kinetic binding properties of antihistamines are regulated by their thermodn. binding forces and physicochem. properties. This study involved multiple reactions and reactants, such as 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid (cas: 83799-24-0Related Products of 83799-24-0).
2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid (cas: 83799-24-0) belongs to piperidine derivatives.Piperidine is a key saturated heterocyclic scaffold found in several of the top-selling small molecule pharmaceuticals and natural alkaloids, with a diverse range of biological activities. The piperidine and polyhydroxylated indolizidine derivatives have shown to be promising α-glucosidase inhibitors. The former are analogs of DNJ with an improved α-glucosidase inhibitory profile than that of DNJ. Boisson et al.Related Products of 83799-24-0
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem