Article
Chemistry, Inorganic & Nuclear
Giuseppe Floresta, Siham Memdouh, Truc Pham, Michelle T. Ma, Philip J. Blower, Robert C. Hider, Vincenzo Abbate, Agostino Cilibrizzi
Summary: Expression of the cellular transmembrane receptor alpha v beta 6 integrin is mainly found in malignant epithelial cells and could be a promising target for tumor imaging and therapy. This study successfully synthesized and labeled two Ga-68 PET probes for in vivo monitoring of alpha v beta 6 integrin. The probes showed high radiochemical yield and binding affinity in cellular studies.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Leticia Arnedo-Sanchez, Kurt F. Smith, Gauthier J. -P. Deblonde, Korey P. Carter, Liane M. Moreau, Julian A. Rees, Toni Tratnjek, Corwin H. Booth, Rebecca J. Abergel
Summary: An ideal chelator for f-elements should have rapid kinetics of complexation, high thermodynamic stability, and slow kinetics of dissociation. The synthesized macrocyclic ligand forms thermodynamically stable complexes with lanthanides and a representative late actinide, with EXAFS data showing an increase in bond lengths. Luminescence studies indicate the presence of water molecules in the inner metal coordination spheres.
Article
Biochemistry & Molecular Biology
Xiaoying Jiang, Jianan Guo, Changjun Zhang, Jinping Gu, Tao Zhou, Renren Bai, Yuanyuan Xie
Summary: A novel class of benzamide-hydroxypyridinone (HPO) derivatives were designed, synthesised, and evaluated for potential multitargeting candidates for Alzheimer's disease treatment, with compound 8g showing the most promising results as a potential multifunctional anti-AD candidate.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
George P. Keeling, Billie Sherin, Jana Kim, Belinda San Juan, Tilmann Grus, Thomas R. Eykyn, Frank Roesch, Gareth E. Smith, Philip J. Blower, Samantha Y. A. Terry, Rafael T. M. de Rosales
Summary: Calcium minerals like hydroxyapatite can be detected noninvasively using imaging agents like [F-18]NaF and Tc-99m-radiolabeled bisphosphonates. A new cyclotron-independent PET radiotracer, [Ga-68]Ga-THP-Pam, has been developed with broad calcium mineral affinity and simple one-step radiolabeling process. Studies show high in vivo affinity for bone tissue and potential for clinical translation.
BIOCONJUGATE CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Axia Marlin, Angus Koller, Eniko'' Madarasi, Marie Cordier, David Esteban-Gomez, Carlos Platas-Iglesias, Gyula Tircso, Eszter Boros, Veironique Patinec, Raphael Tripier
Summary: In this study, two new derivatives of 1,4,7-triazacyclononane, Hnoapy and H-2 noapa, were synthesized and characterized as potential Ga3+ chelators for nuclear medicine. The corresponding Ga3+ complexes were synthesized and structurally characterized in solution. The stability and labeling efficiency of Hnoapy and H-2 noapa were found to be superior to H-3 nota, making them potential alternatives for Ga-67/68-based radiopharmaceuticals.
INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Shailza Sharma, Minati Baral, B. K. Kanungo
Summary: Hydroxypyridinones (HOPOs) are a class of excellent chelators that have high chelating efficacy towards metal ions, especially iron (III). Methyl substitution on the pyridinone ring plays a critical role in determining metal affinity. Various forms of HOPOs, including bidentate, tetradentate, hexadentate, octadentate, and dendrimers, are discussed in terms of their chelating capabilities.
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Farzad Gandomi, Mohammad Vakili, Reza Takjoo, Sayyed Faramarz Tayyari
Summary: The molecular structure, spectrum, metal-ligand bond strength, and other properties of Fe(TFAA)(3) were studied using theoretical calculations and experimental methods, compared with Fe(AA)(3). The results showed that there is no significant difference in the Fe-O bond strength between the two complexes, and the effect of the CF3 group on the chelated ring is consistent with the calculated results. Additionally, vibrational spectroscopy cannot accurately determine the isomer type in the sample.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Jinyoung Oh, Dahyun Kang, Sugyeong Hong, Sun H. Kim, Jun-Ho Choi, Jiwon Seo
Summary: Siderophore-mimicking macrocyclic peptoids were synthesized and studied for their stable catecholate-iron complex structure. Peptoid 3 showed comparable iron binding affinity to deferoxamine, with enhanced stability upon air exposure, as determined by UV-vis, fluorescence, EPR spectroscopies, and DFT calculations.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Yanying Ren, Yaning Li, Nan Xu, Kun Guo, Zhaohui Xu, Xin Chen, Hongsheng Liu, Jufeng Gao
Summary: This study investigates the doping behavior of group III elements on the properties of magnetite nanoparticles and finds that appropriate doping can significantly increase their magnetization, providing important insights for the applications of magnetite nanoparticles in drug delivery and magnetic hyperthermia.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Afnan M. F. Darwesh, Cinzia Imberti, Joanna J. Bartnicka, Fahad Al-Salemee, Julia E. Blower, Alex Rigby, Jayanta Bordoloi, Alex Griffiths, Michelle T. Ma, Philip J. Blower
Summary: This study used radiotracers to examine the absorption, delivery, and mode of action of KP46, an experimental anticancer drug. The results showed that KP46 acts as a slow releaser of gallium ions and is inefficiently absorbed and delivered to tissues, including tumors.
Article
Biochemical Research Methods
Zahra Hashemi, Mohammad Ali Ebrahimzadeh, Pourya Biparva
Summary: Quinoxaline derivatives have a wide range of applications in medical, biomedical, and industrial fields. In this study, a novel quinoxaline derivative called BPQ was designed and synthesized. UV-Vis spectroscopy was used to detect Fe3+ quantitatively and visually compared to other cations. Results showed that BPQ selectively interacted with iron ions, making it a potential chelator for reducing excess iron in the blood.
JOURNAL OF FLUORESCENCE
(2022)
Article
Chemistry, Multidisciplinary
Priyanka Maurya, Ved Vyas, Abhay Narayan Singh, Arindam Indra
Summary: Here, we demonstrate the hydroxylation of ZIF-67 with Lewis acid Fe(iii) to produce FexCo-layered double hydroxide (LDH) nanosheets. The catalyst Fe0.4Co-LDH exhibits excellent water oxidation activity, achieving a current density of 20 mA cm(-2) at only 190 mV overpotential, surpassing hydrothermally synthesized LDH with a similar composition.
CHEMICAL COMMUNICATIONS
(2023)
Article
Physics, Applied
Xiaoheng Yang, Dan Han, Man Wang, Mu Du, Xinyu Wang
Summary: The study reveals exceptional thermoelectric properties of monolayer XP3, with the ZT value of n-type doped AlP3 reaching 8.33, setting a new record in the field of 2D materials.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Pawel Jewula, Mickael Grandmougin, Melanie Choppin, Anna Maria Chiara Tivelli, Agnese Amati, Yoann Rousselin, Lydia Karmazin, Jean-Claude Chambron, Michel Meyer
Summary: Six- and seven-membered cyclic hydroxamic acids are commonly found in siderophores and can act as terminal binding units. However, the coordination chemistry of these ligands with Fe3+, the target metal ion of siderophores, has not been previously investigated. In this study, four complexes were synthesized and studied, and X-ray diffraction analysis showed that the AZEPO(-) complexes had better minimized interligand repulsion energies and shorter Fe-O bond distances compared to the PIPO complexes.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
K. Saranya, P. Selvaganapathi, S. Thirumaran, Samuele Ciattini
Summary: Tris(N,N-difurfuryldithiocarbamato-S,S')iron(III) complex was synthesized and its structure was confirmed by experimental and computational analysis. The complex exhibited good photocatalytic properties for the degradation of methylene blue dye under UV irradiation. Iron sulfide micro and nanoparticles were also prepared and characterized for their size, composition, and structure.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Mohamed Farouk Hamissa, Petr Niederhafner, Hana Sestakova, Martin Safarik, Romana Hadravova, Jaroslav Sebestik
Summary: One strategy to combat neurodegenerative diseases and heal brain injuries is through neuron regeneration. Inubosin B, a lipophilic alkaloid, has been found to have potential for neuroregeneration. Understanding its physico-chemical properties and structure is important for drug formulations.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Rosita Cappai, Alessandra Fantasia, Guido Crisponi, Eugenio Garribba, M. Amelia Santos, Valeria Marina Nurchi
Summary: This study investigated the complex formation equilibria between KC21 and oxidovanadium(IV), and found an extremely stable 1:1 complex at physiological pH, which could have promising pharmacological applications.
Review
Biochemistry & Molecular Biology
M. Amelia Santos, Anna Irto, Peter Buglyo, Silvia Chaves
Summary: Hydroxypyridinones (HPs) are versatile chemical tools for engineering metal chelating agents with high affinity for hard metal ions. This review focuses on recent works that utilize hydroxypyridinone-based ligands for environmental applications, specifically the remediation of hard metal ion ecotoxicity. The article outlines the design of new chelating systems and analyzes the relationship between ligand structures and activities, including metal affinity and thermodynamic stability of metal complexes.
Article
Chemistry, Medicinal
Leonardo Brunetti, Rosalba Leuci, Antonio Carrieri, Marco Catto, Sara Occhineri, Giuseppe Vinci, Lucia Gambacorta, Hanna Baltrukevich, Silvia Chaves, Antonio Laghezza, Cosimo Damiano Altomare, Paolo Tortorella, M. Amelia Santos, Fulvio Loiodice, Luca Piemontese
Summary: Alzheimer's disease is a widespread age-related pathology that is caused in part by cholinergic deficit. This study aimed to develop new multifunctional compounds by targeting multiple enzymes. The results showed that some compounds exhibited interesting profiles as multi-target agents, with one compound displaying stronger inhibition activity than an approved drug.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
David Vicente-Zurdo, Noelia Rosales-Conrado, M. Eugenia Leon-Gonzalez, Leonardo Brunetti, Luca Piemontese, A. Raquel Pereira-Santos, Sandra M. Cardoso, Yolanda Madrid, Silvia Chaves, M. Amelia Santos
Summary: Alzheimer's disease (AD) is a serious and prevalent neurodegenerative disorder for which there is no cure. Recent research has focused on developing multi-target compounds for anti-AD drugs. In this study, seven novel RIV-BIM hybrids were developed and studied. These hybrids combine the active part of the drug rivastigmine with isomeric hydroxyphenylbenzimidazole units. The hybrids showed inhibition of cholinesterases, inhibition of amyloid beta-peptide aggregation, antioxidation, and metal chelation. They also demonstrated good capacity to promote cell viability and neuroprotection. Therefore, the RIV-BIM hybrids have the potential to be drug candidates for AD with multi-target abilities.
Article
Biochemistry & Molecular Biology
Alessia Carocci, Alexia Barbarossa, Rosalba Leuci, Antonio Carrieri, Leonardo Brunetti, Antonio Laghezza, Marco Catto, Francesco Limongelli, Silvia Chaves, Paolo Tortorella, Cosimo Damiano Altomare, Maria Amelia Santos, Fulvio Loiodice, Luca Piemontese
Summary: This study introduces a new series of hybrid molecules that combine a phenothiazine moiety with N-benzylpiperidine or N-benzylpiperazine fragments to target oxidative stress and AD-related pathways. These hybrid molecules show antioxidant properties and activity against cholinesterases, A beta(1-40) aggregation, and fatty acid amide hydrolase inhibition. Compounds 11d and 12d exhibit the most promising multi-target profiles and low cytotoxicity.
Article
Medicine, Research & Experimental
Jacinta O. Pinho, Mariana Matias, Vanda Marques, Carla Eleuterio, Celia Fernandes, Lurdes Gano, Joana D. Amaral, Eduarda Mendes, Maria Jesus Perry, Jao Nuno Moreira, Gert Storm, Ana Paula Francisco, Cecilia M. P. Rodrigues, M. Manuela Gaspar
Summary: Researchers synthesized a new hybrid molecule that showed remarkable antiproliferative activity against melanoma by specifically activating tyrosinase. They also demonstrated that incorporating the molecule into long blood circulating liposomes allowed for passive targeting of tumor sites, leading to high therapeutic efficacy.
BIOMEDICINE & PHARMACOTHERAPY
(2023)
Article
Chemistry, Analytical
Moumita Das, Debraj Gangopadhyay, Radek Pelc, Romana Hadravov, Jaroslav Sebestik, Petr Bour
Summary: An ultra-sensitive arsenite (As3+) sensing method based on aggregation-aided surface-enhanced Raman scattering (AA-SERS) of modified silver colloids is reported in this study. The SERS intensity is greatly increased in the presence of arsenic through colloid aggregation facilitated by cross-linking. The best 2-mercaptopyridine reporter molecule enables direct detection of As3+ at concentrations as low as 0.5 ppb, surpassing the performance of previous SERS techniques.
Article
Pharmacology & Pharmacy
Alice D'Onofrio, Francisco Silva, Lurdes Gano, Paula Raposinho, Celia Fernandes, Arkadiusz Sikora, Monika Wyczolkowska, Renata Mikolajczak, Piotr Garnuszek, Antonio Paulo
Summary: Several improved gastrin-releasing peptide receptor (GRPR) antagonists have been developed and tested in the clinic recently. Utilizing clickable bombesin antagonists, GRPR pretargeting offers a promising approach to improve the in vivo results. Clickable GRPR antagonists and DOTA/DOTAGA derivatives allow for fine-tuning of pharmacokinetics and metabolic stability, facilitating the development of theranostic tools for GRPR-expressing tumors.
Article
Biochemistry & Molecular Biology
David Vicente-Zurdo, Leonardo Brunetti, Luca Piemontese, Beatriz Guedes, Sandra M. Cardoso, Daniel Chavarria, Fernanda Borges, Yolanda Madrid, Silvia Chaves, M. Amelia Santos
Summary: A series of Rivastigmine-Benzimidazole (RIV-BIM) hybrids were found to have multitarget effects in combating Alzheimer's disease (AD). They exhibited antioxidant activity, acted as cholinesterase inhibitors, inhibited amyloid-beta aggregation, and chelated redox-active biometal ions. Furthermore, they showed remarkable inhibitory activity against monoamine oxidases and neuroprotective effects in human neuroblastoma cells.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Multidisciplinary Sciences
Ana S. Andre, Joana N. R. Dias, Sandra Aguiar, Sara Nogueira, Pedro Bule, Joana Ines Carvalho, Joao P. M. Antonio, Marco Cavaco, Vera Neves, Soraia Oliveira, Goncalo Vicente, Belmira Carrapico, Berta Sao Braz, Barbara Ruetgen, Lurdes Gano, Joao D. G. Correia, Miguel Castanho, Joao Goncalves, Pedro M. P. Gois, Solange Gil, Luis Tavares, Frederico Aires-da-Silva
Summary: Antibody-drug conjugates (ADCs) are a rapidly growing therapeutic class in oncology, but they face significant engineering challenges. To develop more stable and effective ADCs, researchers explored the potential of rabbit-derived VL-single-domain antibody scaffolds (sdAbs) to selectively conjugate a payload to Cys80.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Qin Yang, Julien Bloino, Hana Sestakova, Jaroslav Sebestik, Jiri Kessler, Jana Hudecova, Josef Kapitan, Petr Bour
Summary: Resonance Raman optical activity (RROA) spectra are a powerful tool to study molecular structure, chirality, and excited electronic properties. In this study, RROA spectra of a Co(III) complex were recorded and analyzed, revealing significant signal enhancement, unique resonance spectral pattern, and molecular behavior.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Medicinal
Nicole L. Inniss, Jan Kozic, Fengling Li, Monica Rosas-Lemus, George Minasov, Jiri Rybacek, Yingjie Zhu, Radek Pohl, Ludmilla Shuvalova, Lubomir Rulisek, Joseph S. Brunzelle, Lucie Bednarova, Milan Stefek, Jan Michael Kormanik, Erik Andris, Jaroslav Sebestik, Alice Shi Ming Li, Peter J. Brown, Uli Schmitz, Kumar Saikatendu, Edcon Chang, Radim Nencka, Masoud Vedadi, Karla J. F. Satchell
Summary: A collaborative, open-science team has discovered novel small molecule inhibitors of the SARS-CoV-2 nsp16-nsp10 2'-O-methyltransferase using a high throughput screening approach, revealing the druggability of a previously unrecognized cryptic pocket. This discovery provides new tools and suggests a new approach for the development of pan-coronavirus therapeutics based on nsp16 inhibition through structure-guided drug design.
ACS INFECTIOUS DISEASES
(2023)
Article
Virology
Francesca Caccuri, Vera Neves, Lurdes Gano, Joao D. G. Correia, Maria Cristina Oliveira, Pietro Mazzuca, Arnaldo Caruso, Miguel Castanho
Summary: Human immunodeficiency virus type 1 (HIV-1)-associated neurocognitive disorder (HAND) is a significant neurological manifestation in HIV-1-infected patients. This study demonstrates the ability of the HIV-1 matrix protein p17 to cross the blood-brain barrier (BBB) and reach the central nervous system (CNS), supporting its direct role in neuronal dysfunction in HAND.
JOURNAL OF VIROLOGY
(2022)
Article
Chemistry, Inorganic & Nuclear
Silvia Chaves, Karolina Gwizdala, Karam Chand, Lurdes Gano, Agnes Pallier, Eva Toth, M. Amelia Santos
Summary: The development of metal-based multimodal imaging probes is a challenging field in coordination chemistry. In this study, a bifunctional ligand with multiple chelating groups was designed and synthesized for complexation with metal ions for diagnostic applications. The results showed that the ligand forms stable complexes with Gd-III and Ga-III, exhibiting high affinity and good biodistribution and renal clearance properties. Furthermore, the Gd-III complex showed enhanced water proton relaxation, indicating its potential application in magnetic resonance imaging.
DALTON TRANSACTIONS
(2022)
Article
Biochemistry & Molecular Biology
Michael Ramek, Jasmina Sabolovic
Summary: This paper investigates the geometries, energy landscapes, and magnetic parameters of copper(II) amino acid compounds using density functional theory calculations. The results show that certain conformers with histaminate-like and glycine-like modes have low Gibbs free energies and high metal-binding affinities. The predicted conformations reproduce the experimental electron paramagnetic resonance parameters.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2024)
Article
Biochemistry & Molecular Biology
Wei Tian, Wen Zhong, Zengyan Yang, Ling Chen, Shijie Lin, Yanping Li, Yuxing Wang, Peilin Yang, Xing Long
Summary: A series of novel dibutyltin complexes based on salen-like ligands were synthesized and characterized. Complex S03 showed excellent in vitro anticancer activity and induced cancer cell death through multiple mechanisms. This study reveals new mechanisms of organotin complexes and provides new insights into the development of organotin metal complexes as anticancer drugs.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2024)
Article
Biochemistry & Molecular Biology
Natalie C. Korkola, Martin J. Stillman
Summary: Many proteins require a metal cofactor for their function, and these metals play a role in protein folding. The study found that the metallation rates of different metal binding pathways are influenced by pH, with the less cooperative pathway being more affected by low pH conditions. Specific mixtures of structures are formed in the initial steps of metallation, and unfolding the disordered apo-MT structure hinders the formation of these preliminary structures. The compact conformation of the native apo-MT allows for rapid formation of metal-thiolate structures with high affinity, providing protection from oxidation.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2024)
Article
Biochemistry & Molecular Biology
Boxuan Yang, Xitong Song, Binju Wang
Summary: The diiron active site plays a crucial role in catalytic transformations in both biological and chemical systems. Recent advancements in the field include the synthesis of biomimetic diiron catalysts inspired by the active structure of soluble methane monooxygenase (sMMO), which have been successfully applied to the dehydrogenation of indolines.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2024)
Article
Biochemistry & Molecular Biology
Christina N. Banti, Angeliki A. Piperoudi, Catherine P. Raptopoulou, Vassilis Psycharis, Constantinos M. Athanassopoulos, Sotiris K. Hadjikakou
Summary: Two copper(I) polymorphs with mitochondria-targeting properties were successfully prepared via metal ion conjugation. These compounds showed promising activities in DNA binding, enzyme inhibition, and cancer cell inhibition. The molecular mechanisms of action were investigated.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2024)