Article
Polymer Science
Jacek J. Walkowiak, Rohit Nikam, Matthias Ballauff
Summary: The effective charge of highly charged polyelectrolytes is significantly lowered by a condensation of counterions. This effect is more pronounced for divalent ions. Our study on dendritic polyglycerol sulfate (dPGS) demonstrates that the interactions between dPGS and divalent ions (Mg2+ and Ca2+) show no ion specificity but clear competition between monovalent and divalent ions. These findings support the latest theoretical studies and indicate the sequential replacement of monovalent ions with divalent ions.
Article
Food Science & Technology
Yuhong Gong, Jun Li, Jinwei Li, Li Wang, Liuping Fan
Summary: In this study, five polyphenols (rutin, quercetin, hyperoside, quercitrin, and kaempferol) were identified as α-glucosidase inhibitors in Flos sophorae immaturus (FSI). The results showed that quercetin played a significant role in α-glucosidase inhibition in FSI. In addition, the combination of quercetin with kaempferol had a subadditive effect, and the combination with rutin, hyperoside, and quercitrin exhibited an interference effect. The polyphenols acted as mixed inhibitors and enhanced the fluorescence intensity of α-glucosidase through hydrophobic interactions and hydrogen bonding.
Article
Chemistry, Physical
Mathilde Coquil, Nathalie Boubals, Magali Duvail, Marie-Christine Charbonnel, Jean-Francois Dufreche
Summary: Despite the challenges in describing liquid-liquid extraction due to various organization phenomena, a new methodology combining microcalorimetric measurements and molecular modeling has been proposed to better understand the interactions in these complex fluids.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Jose L. Neira, David Ortega-Alarcon, Bruno Rizzuti, Martina Palomino-Schatzlein, Adrian Velazquez-Campoy, Alberto Falco
Summary: The study found that by mutating the HPr sequence to increase its helicity, although it led to a slightly larger population of the helical structure of HPr9-30 in solution, the mutants had less favorable affinity to both EI and Rsd compared to the wild-type. Additionally, the mutants showed lower antibacterial properties against Staphylococcus aureus.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biophysics
Oliver E. P. Smith, Laura J. Waters, William Small, Steve Mellor
Summary: This study investigates the critical micellar concentration (CMC) of five non-ionic surfactants using isothermal titration calorimetry. It also examines the influence of surfactant purity on the determined CMC. The results provide useful information for formulating products with the optimal concentration of surfactant to maximize efficacy.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2022)
Article
Biochemistry & Molecular Biology
Shuay Abdullayev, Priyanka Kadav, Purnima Bandyopadhyay, Francisco Javier Medrano, Gabriel A. Rabinovich, Tarun K. Dam, Antonio Romero, Rene Roy
Summary: Lactose and N-Acetyllactosamine have been widely used ligands for galectins, but with limited selectivity. In this study, simultaneous modifications at the anomeric position, C-2, and O-3' of each sugar were performed, leading to a 3'-O-sulfated N-Acetyllactosamine analog with a significantly increased affinity of 14.7 μM against human Gal-3. The three best compounds contained sulfate groups at the O-3' position, which are in line with the highly cationic character of the Gal-3 binding site.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Applied
Amelia M. Anderson, Ilse Manet, Milo Malanga, Daniel M. Clemens, Keivan Sadrerafi, Angel Pineiro, Rebeca Garcia-Fandino, Matthew S. O'Connor
Summary: A class of cyclodextrin dimers has shown promise as a potential treatment for atherosclerosis by forming strong, soluble complexes with oxysterols. However, characterizing the interactions between these cyclodextrin dimers and oxysterols is challenging due to low sterol solubility and the diversity of interaction mechanisms. Researchers have used multiple techniques to comprehensively characterize the interactions, including metadynamics simulations, competitive isothermal titration calorimetry, and circular dichroism. The findings not only enhance our understanding of CD dimer-sterol interactions, but can also be applied to predict and quantify other challenging host-guest complex systems.
CARBOHYDRATE POLYMERS
(2024)
Article
Biochemistry & Molecular Biology
Xuezhen Feng, Dankui Liao, Lixia Sun, Shuzhen Feng, Shanguang Wu, Ping Lan, Zefen Wang, Xiongdiao Lan
Summary: This study explored the interaction between an inhibitory peptide KNFL from Wakame and angiotensin I-converting enzyme (ACE) using various experimental techniques and molecular dynamics simulations. The results revealed that the binding of KNFL to ACE is a spontaneous exothermic process driven by enthalpy and entropy, forming stable complexes through multiple binding sites. The study also showed that KNFL affects the microenvironment around ACE and alters its conformation.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Food Science & Technology
Grazielle Oliveira, Elaine Kaspchak, Anielle de Oliveira, Fernanda Vitoria Leimann, Gisele Strieder Philippsen, Flavio Augusto Vicente Seixas, Luciana Igarashi-Mafra, Marcos R. Mafra
Summary: This work evaluated the effect of Curcuma longa L. extracts obtained with deep eutectic solvent (DES) and curcumin on alpha-amylase activity and structure. Various techniques including isothermal titration calorimetry (ITC), fluorescence, circular dichroism (CD), and molecular docking were used. The results showed that both the extracts and curcumin inhibited the enzymatic activity and led to a lower catalytic rate. The interaction between the turmeric extracts and the enzyme was demonstrated by fluorescence and CD analysis. Molecular docking confirmed the interaction between curcumin and the active site of alpha-amylase. This study highlights the potential of turmeric extracts for alpha-amylase inhibition, which could be beneficial for the pharmaceutical and food industry.
Article
Biochemistry & Molecular Biology
Hasan Y. Alniss, Chen Chu, Wafaa S. Ramadan, Yousef A. Msallam, Vunnam Srinivasulu, Raafat El-Awady, Robert B. Macgregor Jr, Taleb H. Al-Tel
Summary: In this study, the interaction between SIMR1281 and double-stranded DNA was investigated using various biophysical, biochemical, and computational methods. It was found that SIMR1281 binds to DNA through an intercalation-binding mode and interacts with neighboring base pairs. Furthermore, the study suggests that the multi-target activity of SIMR1281 may be attributed to its disruption of DNA function rather than direct interactions with multiple protein targets.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
(2023)
Article
Biochemistry & Molecular Biology
Ylenia Beniamino, Vittoria Cenni, Mario Piccioli, Stefano Ciurli, Barbara Zambelli
Summary: Nickel exposure is associated with tumors of the respiratory tract. Understanding the molecular basis of nickel-induced carcinogenesis requires unraveling the mode and effects of Ni(II) binding to its intracellular targets. The protein hNDRG1, induced by Ni(II), is a potential target for cancer treatment and its expression correlates with cancer aggressiveness and chemotherapy resistance. The researchers performed biochemical and biophysical characterization of hNDRG1*C and found that it binds to Ni(II) with micromolar affinity, without causing major changes to the protein structure. This study provides crucial information for understanding the cellular function of hNDRG1*C and its role in cancer development.
Article
Biotechnology & Applied Microbiology
Shams T. A. Islam, Jie Zhang, Fabio Tonin, Renske Hinderks, Yanthi N. Deurloo, Vlada B. Urlacher, Peter-Leon Hagedoorn
Summary: Lignin valorization through laccase catalysis can release aromatic products, but different enzymes exhibit significant variations in conversion efficiency and rate. Trametes versicolor laccase follows Michaelis-Menten kinetics in converting Kraft lignin, with specific thermodynamic and kinetic parameters, making it a promising tool for guiding enzymatic lignin valorization strategies.
BIOTECHNOLOGY AND BIOENGINEERING
(2022)
Article
Chemistry, Physical
Pablo F. Garrido, Margarida Bastos, Adrian Velazquez-Campoy, Alfredo Amigo, Philippe Dumas, Angel Pineiro
Summary: The injection of air into an isothermal titration calorimeter's sample cell allows for accurate determination of the surface tension of the target liquid, despite the periodic contribution from bubbles. The new algorithm successfully identifies and analyzes these contributions, improving the analysis of calorimetric signals.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Pasqualina Liana Scognamiglio, Caterina Vicidomini, Francesco Fontanella, Claudio De Stefano, Rosanna Palumbo, Giovanni N. Roviello
Summary: Benzofuran derivatives have potential as drugs due to their ability to interact with nucleic acids, interfere with amyloid peptide aggregation, and affect cancer cell cycles. This study investigated the binding ability of two benzofuran compounds (BF1 and BDF1) with bovine serum albumin as a model protein. The results showed that BF1 had a higher affinity for protein binding, leading to changes in protein structure and thermal stability compared to BDF1.
Article
Biochemistry & Molecular Biology
Sylwia Belica-Pacha, Mateusz Dasko, Vyacheslav Buko, Ilya Zavodnik, Katarzyna Milowska, Maria Bryszewska
Summary: The study investigated the interaction between sertraline hydrochloride and randomly methylated beta-cyclodextrin molecules using Isothermal Titration Calorimetry at specific conditions. The thermodynamic functions such as enthalpy, entropy, and Gibbs free energy of binding were calculated, along with the stoichiometry coefficient and binding constant. The obtained results were compared with literature data, and circular dichroism spectroscopy and computational studies were used to further characterize the interaction.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
