Article
Chemistry, Multidisciplinary
Andrew. T. Turley, Magnus W. D. Hanson-Heine, Stephen. P. Argent, Yaoyang Hu, Thomas. A. Jones, Michael Fay, Simon Woodward
Summary: Large S-8-corona[n]arene macrocycles with alternating aryl and 1,4-C6F4 subunits were successfully synthesized on large scales using new high acceleration SNAr substitution protocols. The size and functionality of the macrocycles can be adjusted by selecting the appropriate precursor and catalyst. Furthermore, the inclusion of solvent controls the conformation and fluorine-fluorine interactions of the macrocycles, leading to spontaneous self-assembly into honeycomb-like lattices.
Review
Nanoscience & Nanotechnology
Sourabh Bera, Hemanta Kumar Datta, Parthasarathi Dastidar
Summary: A self-drug-delivery system against melanoma has been developed using metallogelators derived from coordination polymers. Amongst these metallogelators, CPG3 showed promising results in inhibiting melanoma cell growth by inducing apoptosis through mitochondrial membrane potential depolarization.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Multidisciplinary Sciences
Ravichandran Khazeber, Kana M. Sureshan
Summary: This study reports a helical peptide-polymer synthesized via TEAC polymerization. The polymer forms beta-sheets and supramolecular helices in the solid state. Structural analysis of the crystal lattice reveals that the adjacent molecules are preorganized for TEAC reaction. Single-crystal X-ray diffraction studies show that the polymer can be synthesized in a single-crystal-to-single-crystal fashion and undergoes reaction upon heating.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
Zhuoer Wang, Aiyou Hao, Pengyao Xing
Summary: The researchers successfully realized chiroptical properties in the near-infrared (NIR) region using a charge-transfer strategy and applied it to photothermal agents. They self-assembled pyrene-conjugated amino acid derivatives into helical structures with supramolecular tilt chirality. By manipulating the amino acid domains, they achieved chiroptical activity evolution in the NIR region and controlled the photothermal performance using circularly polarized NIR light.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Christoph Plett, Stefan Grimme
Summary: Modeling intermolecular interactions of complex non-covalent structures is important in chemistry. To facilitate this, we introduce an automated computational interaction site screening workflow (aISS) that generates reasonable geometries and saves computational time.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Inorganic & Nuclear
Xiao-Wei Zhu, Dong Luo, Xiao-Ping Zhou, Dan Li
Summary: The review explores the synthetic methods and functional applications of imidazole-based metal-organic cages (IMOCs). Various types of IMOCs with diverse structures and coordination are categorized by using self-assembly strategies. The relationship between the structures and properties of IMOCs is elucidated, providing inspiration for designing new metal-organic cages with advanced functions.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Biochemistry & Molecular Biology
Yehuda M. Danino, Lena Molitor, Tamar Rosenbaum-Cohen, Sebastian Kaiser, Yahel Cohen, Ziv Porat, Hagai Marmor-Kollet, Corine Katina, Alon Savidor, Ron Rotkopf, Eyal Ben-Isaac, Ofra Golani, Yishai Levin, David Monchaud, Ian D. Hickson, Eran Hornstein
Summary: This study reveals a novel role of Bloom's syndrome protein in the regulation of cytoplasmic processes. It demonstrates that BLM can unwind RNA G-quadruplexes and acts as a negative regulator of stress granule formation.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Alexander K. Mengele, Dominik Weixler, Avinash Chettri, Maite Maurer, Fabian Lukas Huber, Gerd M. Seibold, Benjamin Dietzek, Bernhard J. Eikmanns, Sven Rau
Summary: The research revealed that ligand design can control the mechanism of photooxidation. One of the Ru(II) complexes, Rudppz, enabled efficient turnover through supramolecular binding to facilitate cofactor oxidation, allowing repetitive conversion of naturally occurring nicotinamides by recognizing the redox state of the cofactor.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Suhua Li, Gencheng Li, Bing Gao, Sidharam P. Pujari, Xiaoyan Chen, Hyunseok Kim, Feng Zhou, Liana M. Klivansky, Yi Liu, Hafedh Driss, Dong-Dong Liang, Jianmei Lu, Peng Wu, Han Zuilhof, John Moses, K. Barry Sharpless
Summary: SuFEx is a type of click chemistry that allows covalent linking of modular units through sulfur(vi) connective hubs, leading to the synthesis of structurally diverse copolymers with high efficiency and stable bonds. SuFEx click chemistry offers the potential for post-polymerization modification, enabling the synthesis of materials with control over composition and conformation, making it a powerful tool in polymer chemistry.
Article
Chemistry, Multidisciplinary
Karolis Norvaisa, Sophie Maguire, Claire Donohoe, John E. O'Brien, Brendan Twamley, Ligia C. Gomes-da-Silva, Mathias O. Senge
Summary: Inspired by 'picket-fence' systems, this study utilized strain to introduce intramolecular tension, leading to selective compound atropisomer conversion and the formation of distinctive supramolecular nanostructures.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Mo Sun, Jie Deng, Andreas Walther
Summary: Nature achieves hierarchical control of biofunctions in complex sensory landscapes through cross-regulation of multiple fuel-driven chemical/enzymatic reaction networks (CRNs/ERNs). We present a simple example of communication and cross-regulation between two fuel-driven DNA-based ERNs using a concatenated RNA transcription regulator. The RNA produced by ERN1 can activate or deactivate DNA in ERN2, establishing communication between the two ERNs. The incorporation of RNase H enables RNA degradation and autonomous recovery of ERN2. We propose that concatenation of multiple CRNs/ERNs can be used to design more elaborate autonomous regulatory mechanisms in systems chemistry and synthetic biology.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Jacobo Gomez-Gonzalez, Yolanda Perez, Giuseppe Sciortino, Lorena Roldan-Martin, Jose Martinez-Costas, Jean-Didier Marechal, Ignacio Alfonso, Miguel Vazquez Lopez, M. Eugenio Vazquez
Summary: This study introduces new artificial peptide ligands that fold into chiral helicates in the presence of labile metal ions, and demonstrates their selective binding to DNA three-way junctions as well as their internalization and staining capabilities in functional cells. Circular dichroism, NMR spectroscopy, and computational methods were used to identify and determine the structure of the peptide ligands as topological isomers.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Alan M. Downward, Matteo Granelli, Celine Besnard, Laure Guenee, Alan F. Williams
Summary: This study investigates the structural properties of a chiral ligand forming helical cubanes with cobalt(II) and manganese(II). It is found that a (P)-quadruple helicate can be obtained with a (S)-ligand and cobalt(II). However, when the ligand binds to manganese(II), there are two possible orientations, resulting in the observation of either (P)- or (M)-quadruple helicates for a given ligand enantiomer. The helicates can be linked into extended structures by p-nitrobenzoate capping ligands, which exhibit stacking interactions with neighboring complexes. Interestingly, the study reveals the presence of extended (M)-helices coexisting with extended (P)-helices when manganese(II) is used.
HELVETICA CHIMICA ACTA
(2023)
Article
Biochemistry & Molecular Biology
Ya-Jing Shi, Min Duan, Jun-Mei Ding, Fan-Qi Wang, Li-Li Bi, Cai-Xiang Zhang, Yi-Zhou Zhang, Jun-Yi Duan, An-Hui Huang, Xin-Lin Lei, Hao Yin, Ying Zhang
Summary: A Cas9 protein (Alicyclobacillus tengchongensis) from a thermophilic bacterium has been found to regulate PAM recognition through DNA topology. Structural analysis reveals that AtCas9 has a unique loop motif that interacts with the DNA major groove to modulate PAM recognition. Experimental results demonstrate the near-PAMless editing capability of AtCas9 in E. coli and its broad PAM preference for efficient editing in mammalian cells.
Article
Biochemistry & Molecular Biology
Xia Hu, Ning-Yi Liu, Yuan-Qing Deng, Shan Wang, Ting Liu, Xue-Wen Liu
Summary: The study found that the two new phenanthroline-based ligand ruthenium complexes show good performance in interacting with DNA, with complex 2 demonstrating higher DNA affinity and photocleavage activity. The complexes showed no toxicity towards tumor cells in the dark, but demonstrated obvious photocytotoxicities, with complex 2 exhibiting large phototherapeutic indices towards HeLa cells. These complexes may act as DNA intercalators, DNA photocleavers, and photocytotoxic agents.
Article
Biochemistry & Molecular Biology
Jaroslav Malina, Hana Kostrhunova, Vojtech Novohradsky, Peter Scott, Viktor Brabec
Summary: The design of efficient and safe gene delivery vehicles remains a major challenge for gene therapy. Metal complexes with high affinity for nucleic acids are emerging as an attractive option for gene delivery systems. Certain metallohelices have been discovered to act as nonviral DNA delivery vectors capable of mediating efficient gene transfection, forming globular DNA particles that protect the DNA from degradation, and successfully being processed by cells.
NUCLEIC ACIDS RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Monika Hreusova, Vojtech Novohradsky, Lenka Markova, Hana Kostrhunova, Ivan Potocnak, Viktor Brabec, Jana Kasparkova
Summary: In this study, a gallium(III) complex with cloxyquin ligands is found to effectively inhibit the proliferation of rhabdomyosarcoma cells, a type of aggressive and difficult-to-treat cancer in children. The complex exhibits selective toxicity towards cancer cells compared to noncancerous fibroblasts. It induces ferroptosis in rhabdomyosarcoma cells through interference with iron metabolism, and is capable of killing both bulk and stem cells. This is the first non-iron metal compound shown to induce ferroptosis in cancer cells.
BIOINORGANIC CHEMISTRY AND APPLICATIONS
(2022)
Article
Chemistry, Medicinal
Jakub Cervinka, Alberto Gobbo, Lorenzo Biancalana, Lenka Markova, Vojtech Novohradsky, Massimo Guelfi, Stefano Zacchini, Jana Kasparkova, Viktor Brabec, Fabio Marchetti
Summary: A new ruthenium(II) complex containing a tridentate tris(1-pyrazolyl)methane ligand was synthesized and reacted with a series of organic molecules to form novel complexes. These complexes showed promising anti-cancer activity and selectivity toward cancer cells, with the mechanism of action being the inhibition of mitochondrial calcium intake. The complexes exhibited good solubility in water and could accumulate effectively in cancer cells.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Alba Hernandez-Garcia, Lenka Markova, Maria Dolores Santana, Jitka Pracharova, Delia Bautista, Hana Kostrhunova, Vojtech Novohradsky, Viktor Brabec, Jose Ruiz, Jana Kasparkova
Summary: This study presents the synthesis and characterization of six new heteroleptic osmium(II) complexes with varying substituents in the R3 position of the phenyl ring of the cyclometalating C^N ligand. These complexes are highly kinetically inert and absorb a full-wavelength range of visible light. The antiproliferative activity of these complexes has been investigated using human cancer and noncancerous cell cultures, showing that they are more potent than conventional cisplatin. The mechanism of action involves the activation of the endoplasmic reticulum stress pathway and disruption of calcium homeostasis.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Hana Kostrhunova, Brondwyn S. McGhie, Lenka Markova, Olga Novakova, Jana Kasparkova, Janice R. Aldrich-Wright, Viktor Brabec
Summary: The platinum(II) complex Pt(II)56MeSS exhibits high potency against cancer cells but also displays side toxicity and in vivo activity. The synthesis of new platinum(IV) prodrugs combining Pt(II)56MeSS with diclofenac (DCF) is described. These Pt(IV) complexes show similar mechanisms of action as Pt(II)56MeSS and DCF, promoting antiproliferative activity and inducing cell death and immunogenic cell death in cancer cells.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Jaroslav Malina, Hana Kostrhunova, Peter Scott, Viktor Brabec
Summary: Fe(II)-based metallohelices were found to stabilize various DNA junctions, with the highest selectivity for the Y-shaped 3WJ. These metallohelices were shown to efficiently kill cancer cells and induce DNA damage, offering potential therapeutic benefits.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Amrita Sarkar, Vojtech Novohradsky, Moumita Maji, Tomer Babu, Lenka Markova, Hana Kostrhunova, Jana Kasparkova, Valentina Gandin, Viktor Brabec, Dan Gibson
Summary: A multitargeting prodrug (2) that releases gemcitabine, oxaliplatin, and doxorubicin in their active form in cancer cells is a potent cytotoxic agent. It selectively targets cancer cells with high selectivity indices and induces the release of DAMPs in CT26 cells. The prodrug also inhibits tumor growth in murine models with lower body weight loss compared to FDA drugs.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Medicinal
Vojtech Novohradsky, Alicia Marco, Lenka Markova, Natalia Cutillas, Jose Ruiz, Viktor Brabec
Summary: In this study, a series of new octahedral iridium(III) complexes Ir1-Ir9 were reported, which showed potential for inhibiting metastasis in triple-negative breast cancer. The results demonstrated that the structural modifications within the complexes strongly influenced their anti-metastatic properties, with complex Ir1 exhibiting the highest activity. Contrary to the effects of the conventional chemotherapy drug doxorubicin, which promoted metastatic properties of TNBC cells, the results suggested that doxorubicin therapy may increase the risk of breast cancer metastasis.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
J. P. C. Coverdale, H. Kostrhunova, L. Markova, H. Song, M. Postings, H. E. Bridgewater, V. Brabec, N. J. Rogers, P. Scott
Summary: Self-assembled enantiomers of a di-iron metallohelix showed different antiproliferative activities against HCT116 colon cancer cells, with the ?-helicity compound being more potent than the Delta compound. The accumulation and localization studies suggest that the ? enantiomer undergoes carrier-mediated efflux, while the Delta enantiomer undergoes equilibrative process. The binding of the ? metallohelix to DNA and inhibition of tubulin and actin networks contribute to its G(2)/M arrest effect on cells.
DALTON TRANSACTIONS
(2023)
Article
Biochemistry & Molecular Biology
Jitka Pracharova, Hana Kostrhunova, Alessandra Barbanente, Nicola Margiotta, Viktor Brabec
Summary: This study confirms the excellent antiproliferative activity of the phosphaplatin derivative RRD2 in various cancer cell lines and analyzes its binding to nuclear DNA. The results demonstrate that DNA lesions caused by RRD2 contribute to killing cancer cells. Additionally, RRD2 accumulates in cancer cells to a lesser extent than cisplatin but exhibits similar binding efficiency to nuclear DNA after accumulation.
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Jaroslav Malina, Hana Kostrhunova, Viktor Brabec
Summary: In this study, we investigated the interaction between a dinuclear nickel(II) tetracationic supramolecular helicate and DNA G-quadruplexes, and their impact on gene expression. The results showed that the supramolecular helicate preferentially binds to G-quadruplex structures and stabilizes them, leading to the inhibition of DNA synthesis and downregulation of gene expression.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Biochemistry & Molecular Biology
Jana Kasparkova, Hana Kostrhunova, Vojtech Novohradsky, Lili Ma, Guangyu Zhu, Elena R. Milaeva, Alexender A. Shtill, Robin Vinck, Gilles Gasser, Viktor Brabec, Alexey A. Nazarov
Summary: This study investigated the mechanism of action of a Pt(IV) complex 2 with two axial lonidamine ligands, which selectively inhibit aerobic glycolysis. Compared to the parent Pt(II) complex, the presence of two lonidamine ligands increased the antiproliferative activity of complex 2, influenced its cell cycle profile and mechanism of cell death. In 3D cell culture, complex 2 exhibited exceptional antiproliferative activity.
Article
Chemistry, Inorganic & Nuclear
Vojtech Novohradsky, Lenka Markova, Hana Kostrhunova, Marie Svitelova, Jana Kasparkova, Alessandra Barbanente, Paride Papadia, Nicola Margiotta, James D. Hoeschele, Viktor Brabec
Summary: New platinum-based compounds exhibit high potency and selectivity in pancreatic cancer cells, and inhibit lipid synthesis through a novel mechanism, providing a potential theoretical basis for the development of new anticancer drugs.
INORGANIC CHEMISTRY FRONTIERS
(2022)