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)
Review
Pharmacology & Pharmacy
Iago Dillion Lima Cavalcanti, Francisco Humberto Xavier Junior, Nereide Stela Santos Magalhaes, Mariane Cajuba de Britto Lira Nogueira
Summary: Isothermal titration calorimetry (ITC) is a technique for evaluating the thermodynamic profiles of connection between two molecules, allowing the experimental design of nanoparticles systems with drugs and/or biological molecules. In the field of pharmaceutical nanotechnology, ITC has been increasingly used to understand the interaction mechanisms in the formation of nanoparticles and the behavior of nanocarriers in in vivo studies. This technique provides quick and easy results to optimize the formulation process of nano-systems.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Chemistry, Multidisciplinary
Tzu-Yi Tai, Fanrui Sha, Xiaoliang Wang, Xingjie Wang, Kaikai Ma, Kent O. Kirlikovali, Shengyi Su, Timur Islamoglu, Satoshi Kato, Omar K. Farha
Summary: This study presents the first systematic investigation on the thermodynamics of protein immobilization in metal-organic frameworks (MOFs). It demonstrates that MOFs provide a hydrophobic stabilizing microenvironment for proteins, leading to an entropically driven encapsulation process. Among a series of Zr-MOFs, pyrene-based NU-1000 exhibits the most favorable encapsulation process for insulin.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Thermodynamics
Ziga Medos, Isidora Cobanov, Marija Bester-Rogac, Bojan Sarac
Summary: This research paper examines the issues associated with power compensation isothermal titration calorimetry, highlighting the possibility of obtaining different enthalpy values with different instruments and setting parameters. It emphasizes that modern calorimeters' dynamic power compensation mode may lead to overcompensation of heat effects, resulting in experimental results heavily reliant on chosen parameters. To avoid these problems, the paper suggests checking raw signals and conducting experiments with low or disabled power compensation when observing switching effects.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Multidisciplinary
Xitong Li, Shuting Gao, Ning Zhang, Miao Zhang, Ruiyong Wang, Junbiao Chang
Summary: In this work, it was discovered that tectoridin can bind to the fat mass and obesity-associated protein (FTO) driven by entropy. Hydrophobic interactions were found to be predominant in the formation of the complex. Enzymatic activity assays confirmed the inhibition of tectoridin on the demethylase activity of FTO, providing a basis for the development of FTO demethylase inhibitors.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Adam Jugl, Miloslav Pekar
Summary: The interactions between hyaluronan and cecropin B were investigated using high-resolution ultrasonic spectroscopy and isothermal titration calorimetry. The study found that the molecular weight of hyaluronan played a significant role in the interactions, particularly the transition between different conformations. In water, interactions were saturated at a molar charge ratio of 1.5, possibly due to steric hinderance or functional group interactions. However, in PBS, no interactions were observed, regardless of the molecular weight of hyaluronan, indicating that the interactions were suppressed at higher ionic strength.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Multidisciplinary
Xiao-Nan Zhang, Albert T. Lam, Qinqin Cheng, Valentine V. Courouble, Timothy S. Strutzenberg, Jiawei Li, Yiling Wang, Hua Pei, Bangyan L. Stiles, Stan G. Louie, Patrick R. Griffin, Yong Zhang
Summary: Researchers have reported a synthetic NAD(+) compound featuring high activity and specificity for human PARP1, which can be used as an ADP-ribose donor to label and analyze potential protein substrates of endogenous PARP1.
Article
Chemistry, Multidisciplinary
Fanrui Sha, Tzu-Yi Tai, Madeleine A. Gaidimas, Florencia A. Son, Omar K. Farha
Summary: Isothermal titration calorimetry (ITC) is a technique for measuring the thermodynamic parameters of binding events, which has applications not only in biological macromolecules but also in synthetic systems like metal-organic frameworks (MOFs). Utilizing ITC in MOFs can provide insights into small molecule adsorption mechanisms and the formation of MOF-based composite materials through non-covalent interactions, with specific experimental considerations discussed. Furthermore, underexplored research directions related to MOFs that could benefit from ITC are highlighted.
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
Chemistry, Inorganic & Nuclear
X. van Niekerk, T. I. A. Gerber, E. C. Hosten
Summary: The reactivity of the rhenium(I) precursor fac-[Re(CO)(5)Cl] with various benzo-fused ligands was studied, resulting in the isolation of novel complexes with different types of rhenium complexes depending on the ligands used.
Article
Chemistry, Applied
Wei Liao, Emilie Dumas, Abdelhamid Elaissari, Adem Gharsallaoui
Summary: This study investigated the formation mechanism of multilayer emulsions in oil-in-water systems by using isothermal titration calorimetry (ITC) and dynamic light scattering (DLS) techniques. The results showed that ITC could provide more accurate information about the polymer concentration effect. The titration experiment confirmed that low methoxyl pectin (LMP) mainly bound sodium caseinate (CAS)-coated droplets through electrostatic forces, and stable multilayer emulsions were obtained by titrating CAS-stabilized droplets into LMP.
FOOD HYDROCOLLOIDS
(2023)
Article
Biochemistry & Molecular Biology
Mimosa Sillanpaa, Marica T. T. Engstroem, Petri Taehtinen, Rebecca J. J. Green, Jarmo Kapyla, Anu Nareaho, Maarit Karonen
Summary: Plant tannins have anthelmintic and antiparasitic activities and can be used as complementary nutrients alongside commercial anthelmintics. The interactions between tannins and anthelmintics are limited and can have both synergistic and antagonistic effects depending on the tannin type and method used. Hydrolysable tannins can directly interact with the anthelmintic thiabendazole, and this interaction is strengthened by increasing the number of free galloyl groups and the overall molecular flexibility of tannins.
Article
Chemistry, Applied
Paola Peluso, David Landy, Lamia Nakhle, Roberto Dallocchio, Alessandro Dessi, Sulaiman Krait, Antonio Salgado, Bezhan Chankvetadze, Gerhard K. E. Scriba
Summary: The complex formation between daclatasvir and gamma-CD or TM-beta-CD was studied using isothermal titration calorimetry and molecular modeling. The results showed that a 2:1 complex was predominantly formed with gamma-CD, while a 1:1 complex was formed to a lesser extent. In contrast, the TM-beta-CD complex had a stoichiometry of 1:1. The complex formation with gamma-CD did not require dissociation of the daclatasvir dimer and had a binding constant of 1.67x10^7 M-2, while the weak TM-beta-CD complex required dissociation of the daclatasvir dimer and had a binding constant of 371 M-1.
CARBOHYDRATE POLYMERS
(2023)
Article
Chemistry, Applied
Jingbo Liu, Hongyu Jiang, Min Zhang, Meng Yang, Ting Zhang, Zhiyang Du, Menglei Xu, Xuanting Liu
Summary: This study established a binary protein system using ovalbumin (OVA) and lysozyme (LYS) in egg white, and investigated the relationship between co-aggregation and co-gelation. The addition of LYS enhanced the thermodynamic stability and storage modulus of OVA-LYS complex, and also influenced its microstructure and protein chain properties. Furthermore, divalent ions enhanced the thermal stability of the complex.
Article
Chemistry, Multidisciplinary
Xuxing Chen, Xiaojing Huang, Qian He, Yuyuan Xie, Chunhao Yang
CHEMICAL COMMUNICATIONS
(2014)
Article
Chemistry, Organic
Yang Liu, Liping Huang, Fuchun Xie, Xuxing Chen, Youhong Hu
ORGANIC & BIOMOLECULAR CHEMISTRY
(2011)
Article
Chemistry, Organic
Xuxing Chen, Qian He, Yuyuan Xie, Chunhao Yang
ORGANIC & BIOMOLECULAR CHEMISTRY
(2013)
Article
Chemistry, Organic
Haixia Peng, Xuxing Chen, Yanhong Chen, Qian He, Yuyuan Xie, Chunhao Yang
Article
Cell Biology
J-X Li, J-M Feng, Y. Wang, X-H Li, X-X Chen, Y. Su, Y-Y Shen, Y. Chen, B. Xiong, C-H Yang, J. Ding, Z-H Miao
CELL DEATH & DISEASE
(2014)
Article
Chemistry, Medicinal
Shuang Mei, Su Jiang, Yuting Wang, Han Jing, Peng Yang, Miao-Miao Niu, Jindong Li, Kai Yuan, Yan Zhang
Summary: This study identifies a dual-targeting peptide, AP-1, that effectively inhibits variants of concern (VOCs) of SARS-CoV-2 without impairing host cell viability. The findings suggest that AP-1 could be a promising broad-spectrum agent for treating emerging VOCs of SARS-CoV-2.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Hyeonjun Lee, Ju Yeon Lee, Hyunsoo Jang, Hye Young Cho, Minhee Kang, Sang Hyun Bae, Suin Kim, Eunji Kim, Jaebong Jang, Jin Young Kim, Young Ho Jeon
Summary: By using liquid chromatography-tandem mass spectrometry and nuclear magnetic resonance experiments, we identified new chemical moieties that bind to the target sites of the protein of interest, allowing for reversible binding and protein degradation. This method has the potential to expand the application of PROTAC technology.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Yingying Li, Xiyou Du, Xinru Kong, Yuelin Fang, Zhijing He, Dongzhu Liu, Hang Wu, Jianbo Ji, Xiaoye Yang, Lei Ye, Guangxi Zhai
Summary: This study proposes a novel nanoplatform based on the autophagy cascade to overcome the obstacles in chemo-immunotherapy. The platform combines chemotherapy and starvation therapy to initiate pro-death autophagy and enhance antigen presentation, while also remodeling the immunosuppressive tumor microenvironment. Furthermore, the study discovers a new therapeutic direction for the respiration inhibitor 3-bromopyruvic acid (3BP) in cancer treatment. Overall, this study offers an opportunity to improve antitumor efficacy and boost immune responses.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Bingsi Wang, Mingxu Ma, Yusen Dai, Pengfei Yu, Liang Ye, Wenyan Wang, Chunjie Sha, Huijie Yang, Yingjie Yang, Yunjing Zhu, Lin Dong, Shujuan Wei, Linlin Wang, Jingwei Tian, Hongbo Wang
Summary: Breast cancer is a common malignant tumor in women, and drug resistance remains a clinical challenge. In this study, a novel compound, G-5b, was developed with potent antagonistic and degradation activities comparable to the current drug fulvestrant. G-5b also showed improved stability and solubility. Mechanistically, G-5b engages the proteasome pathway to degrade ER, inhibiting the ER signaling pathway and inducing apoptosis and cell cycle arrest. In animal models, G-5b exhibited superior pharmacokinetics and pharmacodynamics properties. Overall, G-5b is a promising long-acting SERD worthy of further investigation and optimization.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Karoline B. Waitman, Larissa C. de Almeida, Marina C. Primi, Jorge A. E. G. Carlos, Claudia Ruiz, Thales Kronenberger, Stefan Laufer, Marcia Ines Goettert, Antti Poso, Sandra V. Vassiliades, Vinicius A. M. de Souza, Monica F. Z. J. Toledo, Neuza M. A. Hassimotto, Michael D. Cameron, Thomas D. Bannister, Leticia Costa-Lotufo, Joa o A. Machado-Neto, Mauricio T. Tavares, Roberto Parise-Filho
Summary: A series of hybrid inhibitors combining pharmacophores of known kinase inhibitors and benzohydroxamate HDAC inhibitors were synthesized and evaluated for their anticancer activity and pharmacokinetic properties. Compounds 4d-f exhibited promising cytotoxicity against hematological cells and moderate activity against solid tumor models. Compound 4d showed potent inhibition of multiple kinase targets and had stable interactions with HDAC and members of the JAK family. These compounds showed selective cytotoxicity with minimal effects on non-tumorigenic cells and favorable pharmacokinetic profiles.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Michal Sulik, Diana Fontinha, Dietmar Steverding, Szymon Sobczak, Michal Antoszczak, Miguel Prudencio, Adam Huczynski
Summary: This study describes the synthesis of the first-in-class ivermectin derivatives obtained through derivatization of the C13 position, along with the unexpected rearrangement of the macrolide ring. These derivatives show potential for antiparasitic activity and are important for the development of new antiparasitic agents.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Jun Liu, Qiu-Xian Chen, Wen-Fu Wu, Dong Wang, Si -Yu Zhao, Jia-Hao Li, Yi-Qun Chang, Shao-Gao Zeng, Jia-Yi Hu, Yu-Jie Li, Jia-Xin Du, Shu-Meng Jiao, Hai-Chuan Xiao, Qiang Zhang, Jun Xu, Jian-Fu Zhao, Hai -Bo Zhou, Yong-Heng Wang, Jian Zou, Ping-Hua Sun
Summary: A new anti-infective drug strategy has been discovered to attenuate virulence and modulate inflammation caused by drug-resistant Pseudomonas aeruginosa infections. Compound 5f inhibits biofilm formation, macrophage migration, and inflammatory response induced by P. aeruginosa, showing potential as a novel candidate against drug-resistant infections.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Liuzeng Chen, Ke Wang, Lingyun Wang, Wei Wang, Lifan Wang, Jia Li, Xiaohan Liu, Mengya Wang, Banfeng Ruan
Summary: In this study, a series of novel anti-inflammatory compounds were designed and synthesized based on the natural product pterostilbene skeleton. Among them, compound 8 showed the highest activity and exhibited its effects through inhibition of pro-inflammatory cytokines by blocking the NF-KB/MAPK signaling pathway. Compound 8 also demonstrated a good relieving effect on acute colitis in mice and showed good safety in acute toxicity experiments.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Si-Min Liang, Gui-Bin Liang, Hui-Ling Wang, Hong Jiang, Xian-Li Ma, Jian-Hua Wei, Ri-Zhen Huang, Ye Zhang
Summary: A series of novel multi-target antitumor agents were designed, synthesized, and evaluated. Some compounds exhibited significant antitumor activity and one compound showed excellent efficacy, limited toxicity, and low resistance. Further mechanism studies revealed that the compound exerted antitumor effects through multiple pathways.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)