Browsing by Subject "Physicochemical"

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    A physicochemical, thermodynamical, structural and computational evaluation of kynurenic acid/cyclodextrin complexes
    (Elsevier, 2021-03-23) Matencio Durán, Adrián; Caldera, Fabrizio; Rubin Pedrazzo, Alberto; Monfared, Yousef Khazaei; Dhakar, Nilesh K.; Trotta, Francesco; Bioquímica y Biología Molecular A; Facultad de Biología
    In this work, the interaction between Kynurenic acid (KYNA) and several natural and modified cyclodextrins (CDs) is carried out. Among all the CD tested, HPβ-CD showed the strongest complexation constant (KF), with a value of 270.94 ± 29.80 M−1. Between natural (α- and β-) CDs, the complex of KYNA with β-CD was the most efficient. The inclusion complex of KYNA with CDs showed a strong influence of pH and temperature. The KF value decreased at high pH values, when the pKa was passed. Moreover, an increase of the temperature caused a decrease in the KF values. The thermodynamic parameters of the complexation (ΔH°, ΔS° and ΔG°) were studied with negative entropy, enthalpy and spontaneity of the process at 25 °C. Moreover, the inclusion complex was also characterized using FTIR and TGA. Finally, molecular docking calculations provided different interactions and their influence in the complexation constant.
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    Stilbenes: Characterization, bioactivity, encapsulation and structural modifications. A review of their current limitations and promising approaches
    (Taylor and Francis Group, 2022-03-02) Navarro Orcajada, Silvia; Vidal Sánchez, Francisco José; Albadelejo Maricó, Lorena; Matencio Durán, Adrián; Conesa Valverde, Irene; López Nicolás, José Manuel; Vidal Sánchez, Francisco José; García Carmona, Francisco; Bioquímica y Biología Molecular A
    Stilbenes are phenolic compounds naturally synthesized as secondary metabolites by the shikimate pathway in plants. Research on them has increased in recent years due to their therapeutic potential as antioxidant, antimicrobial, anti-inflammatory, anticancer, cardioprotective and anti-obesity agents. Amongst them, resveratrol has attracted the most attention, although there are other natural and synthesized stilbenes with enhanced properties. However, stilbenes have some physicochemical and pharmacokinetic problems that need to be overcome before considering their applications. Human clinical evidence of their bioactivity is still controversial due to this fact and hence, exhaustive basis science on stilbenes is needed before applied science. This review gathers the main physicochemical and biological properties of natural stilbenes, establishes structure-activity relationships among them, emphasizing the current problems that limit their applications and presenting some promising approaches to overcome these issues: the encapsulation in different agents and the structural modification to obtain novel stilbenes with better features. The bioactivity of stilbenes should move from promising to evident.