Correlation analysis and H-bond ability in framework of QSAR

In this report the possibility of calculation of H-bond factors using an empirical multiplicative approach is discussed. On the base of experimental data on enthalpy (ΔH) and (ΔG) of 936 complex formation In CCl4 the following equations were obtained: ΔHDA = 4.96(kJ/mole) EDEA and ΔHDA = 2.43(kJ/mole) CDCA + 5.7(kJ/mole), where E-enthalpy factor, C-free energy factor, D-proton donor, A- proton acceptor. Relationships between E(C) and substituent constants for some types of active sites were obtained. Examples of successful using of H-bond factors In QSAR modeling are given

Cytoprotection by Melatonin: The Metabolic Syndrome as an Example

Melatonin improves sleep efficiency and has antioxidant and anti-inflammatory properties, in part because of its function as a metabolic regulator and mitochondrial protector. As a chronobiotic/cytoprotective agent, melatonin may occupy a special place in the prevention and treatment of metabolic syndrome.Fil: Cardinali, Daniel Pedro. Pontificia Universidad Católica Argentina "Santa María de los Buenos Aires"; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Vigo, Daniel Eduardo. Pontificia Universidad Católica Argentina "Santa María de los Buenos Aires". Instituto de Investigaciones Biomédicas. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Investigaciones Biomédicas; Argentin