Article
Biochemistry & Molecular Biology
Xue Guo, Philip Schmiege, Tufa E. Assafa, Rong Wang, Yan Xu, Linda Donnelly, Michael Fine, Xiaodan Ni, Jiansen Jiang, Glenn Millhauser, Liang Feng, Xiaochun Li
Summary: This study reveals the structure and functional mechanism of lysosomal amino acid transporter cystinosin, which plays an important role in maintaining lysosomal homeostasis and supplying essential amino acids. The discovered mechanism helps to understand the molecular process of amino acid efflux in lysosomes and provides a potential strategy for developing treatments for lysosomal storage diseases.
Article
Chemistry, Physical
Ying Zhao, Fei Li, Fenfen Ma, Junge Zhi, Guanglu Wu, Xiaoyan Zheng
Summary: The molecular recognition of synthetic cucurbit[7]uril (CB[7]) to N-terminal Leu-containing tripeptides was investigated using molecular dynamics (MD) simulation, and tripeptides with high binding affinity were identified. The study found that CB[7] had a nanomolar level binding affinity to LGR, but changing the sequence order or increasing the sequence length significantly decreased the binding affinity. Substituting N-terminal Leu for Ile weakened the binding of CB[7] to tripeptides. Furthermore, it was predicted that placing R at the C-terminus resulted in a consistently high binding strength. This research provides insights for the rational design of peptides with high affinity to CB[7] in practical applications.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Organic
Lindsey O. Calabretta, Yana D. Petri, Ronald T. Raines
Summary: We report the synthesis and properties of a rationally designed guanidinium-containing oxoanion binder, GADAC. GADAC binds to carboxylates, phosphates, and sulfates with high affinities. GADAC is fluorescent in water and its quantum yield is pH-sensitive.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Zhenzhen Lai, Silei Bai, Aimin Li, Xinxin Feng, Qing He
Summary: Despite significant advances in biomaterials, there is still a need for the development of new materials and strategies for anti-cancer and antimicrobial drug discovery. In this study, the synthesis of two compounds, 1 and 2, was detailed, which showed a strong affinity for guanidinium cations. The ability of these compounds to extract guanidinium cations and their promotion of anti-cancer and antimicrobial activities were demonstrated through various experiments and calculations.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Zhenzhen Lai, Silei Bai, Aimin Li, Xinxin Feng, Qing He
Summary: This study demonstrates the synthesis of two macrocyclic compounds that can complex with guanidinium cations, leading to enhanced anti-cancer and antimicrobial activities. This provides insights into drug discovery in a supramolecular manner.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Biochemical Research Methods
Hayden R. Anderson, Wei L. Reeves, Andrew T. Bockus, Paolo Suating, Amy G. Grice, Madeleine Gallagher, Adam R. Urbach
Summary: We have developed a novel insulin derivative that exhibits high nanomolar affinity for the synthetic receptor cucurbit[7]uril (Q7), potentially enabling the development of continuous insulin detection methods for diabetes management.
BIOCONJUGATE CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Shang-Wei Yuan, Pei-Hui Shan, Mao-Xiao Yang, Pei-Hua Ma, Timothy J. Prior, Carl Redshaw, Gang Wei, Zhu Tao, Xin Xiao
Summary: In this study, the host-guest inclusion complexes formed by the symmetric tetramethyl-substituted cucurbit[6]uril with glycine were investigated under different conditions. The interactions were studied in solution and in the solid state, and two molecular structures were reported.
Article
Chemistry, Multidisciplinary
Xiaoyi Chen, Zehuan Huang, Renata L. Sala, Alan M. McLean, Guanglu Wu, Kamil Sokolowski, Katie King, Jade A. McCune, Oren A. Scherman
Summary: Peptide dimerization is a common phenomenon in natural protein conjugates and artificial self-assemblies. In this study, researchers employ a synthetic host that encapsulates an aromatic and a noncanonical L-perfluorophenylalanine-containing peptide, constructing a series of unprecedented heteropeptide dimers. The utility of this heteropeptide dimerization strategy is demonstrated in the recognition of peptides and insulin, showing high recycling efficiency.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Yu-Chen Pan, Andrea Barba-Bon, Han-Wen Tian, Fei Ding, Andreas Hennig, Werner M. Nau, Dong-Sheng Guo
Summary: In this study, a new amphiphilic sulfonatocalix[5]arene (sCx5-6C) was designed as a K-compatible transport activator for translocating K-rich peptides and proteins. sCx5-6C showed efficient membrane transport efficiencies for K-rich molecules, surpassing known arginine-compatible activators.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Guoling Zhang, Guogang Yang, Qiuwan Shen, Shian Li, Zheng Li, Jiadong Liao, Ziheng Jiang, Hao Wang, Hongpeng Zhang, Weiqiang Ye
Summary: This study investigates the effects of foreign cations (Na+ and Ca2+) on the diffusion of H3O+ and H2O in polymer electrolyte membranes using molecular dynamics simulations. The results show that the diffusion coefficients of H3O+ and H2O are significantly reduced by the presence of Na+ and Ca2+, with Ca2+ having a more pronounced effect. The cations affect intramembrane transport properties by occupying sulfonic groups and disrupting the connectivity of water clusters.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Organic
Romain Carpentier, Simon Lambert, Emilio Brunetti, Ivan Jabin, Kristin Barti
Summary: This study demonstrates that the straightforward self-assembly process used for encapsulating artificial receptors in micelles is an efficient strategy for developing water-soluble nanosized supramolecular recognition systems.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Agronomy
John A. Raven
Summary: This paper discusses the use of quantum dots in plant biology as indicators of organic nitrogen and inorganic phosphorus uptake and distribution. It focuses on the mechanism of quantum dots entry into plants and compares their toxicity with radioactive phosphorus isotopes.
Article
Chemistry, Multidisciplinary
Huipeng Hou, Shanshan Tang, Miao Liu, Fulai Zhang, Axin Liang, Liquan Sun, Lina Geng, Bingteng Xie, Yue Yi, Aiqin Luo
Summary: In this work, an electrochemical chiral sensor was proposed for the chiral recognition of tryptophan enantiomers. The sensor showed good reproducibility, stability, and chiral recognition ability.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Guoling Zhang, Guogang Yang, Shian Li, Qiuwan Shen, Ziheng Jiang, Zheng Li, Hao Wang, Jiadong Liao, Hongpeng Zhang
Summary: This study evaluated the effects of K+ and Mg2+ in marine atmosphere on the transport performance of Nafion 117 membranes through molecular dynamics simulations. It was found that these cations significantly weaken the diffusion of H3O+ and H2O, with Mg2+ having a more serious impact. The diffusion coefficients increase significantly with the increase of temperature, along with the increase of interaction between cations and sulfonic groups.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Biochemical Research Methods
Alexios Chatzigoulas, Zoe Cournia
Summary: Abnormal protein-membrane attachment plays a role in cellular pathway dysfunction and diseases. Modulating protein-membrane interactions through machine learning algorithms offers a promising therapeutic strategy for previously undruggable peripheral membrane proteins. This study presents an ensemble machine learning methodology for predicting membrane-penetrating amino acids, achieving high accuracy in identifying these amino acids and providing potential insights for designing drug-like molecules.
BRIEFINGS IN BIOINFORMATICS
(2022)