Article
Chemistry, Inorganic & Nuclear
Andrea Pinto, Catarina Roma-Rodrigues, Jas S. Ward, Rakesh Puttreddy, Kari Rissanen, Pedro Baptista, Alexandra R. Fernandes, Joao Carlos Lima, Laura Rodriguez
Summary: The aggregation process of a series of mono- and dinuclear gold(I) complexes containing a specific ligand was analyzed, revealing that they enter cells as aggregates. Inductive coupled plasma atomic emission spectrometry measurements showed the distribution of complexes in different cellular fractions, indicating a cooperative effect of dinuclear compounds on actin aggregation.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
E. S. Cakmakci, E. Subasi, E. Ozturk, A. Sahiner, B. Sen Yuksel
Summary: Metal(II) complexes including Co(II), Ni(II), Pd(II) and Zn(II) were synthesized and characterized. These complexes were obtained by reacting metal(II) chlorides with the ligand. The structures and properties of these complexes were determined by various characterization techniques including elemental analysis, FT-IR, 1H NMR, and single crystal X-ray diffraction.
INORGANICA CHIMICA ACTA
(2023)
Article
Biochemistry & Molecular Biology
Adriana Corina Hangan, Roxana Liana Lucaciu, Alexandru Turza, Lucia Dican, Bogdan Sevastre, Emoeke Pall, Luminita Simona Oprean, Gheorghe Borodi
Summary: The discovery of new non-toxic metal complexes with biological activity is an active area of research. Two Cu+2 complexes with new ligands were synthesized and characterized by X-ray crystallography. Both complexes showed in vitro biological activities, with complex C2 being more active. The complexes exhibited distorted square pyramidal square-planar geometries and were characterized by FT-IR and UV-Vis spectroscopy. The antibacterial activity of the complexes against four Gram-positive and two Gram-negative bacteria was determined using the microdilution method, and cytotoxicity studies were carried out on tumor cell lines and a normal cell line. Flow cytometric assessment of apoptosis induced by the complexes was also performed.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Sona Niroomand, Abbas Jahanara, Shohre Jahani, Ghasem Sargazi, Brian O. Patrick, Meissam Noroozifar, Mozhgan Khorasani-Motlagh
Summary: UV-Vis and IR spectroscopy, elemental analysis, and X-ray crystallography were used to characterize a novel dimeric Lanthanum(III) complex with 1,10-phenanthroline (phen). The compound exhibited antibacterial, anticancer, and DNA and protein binding properties. Molecular modeling and absorption and fluorescence spectroscopy methods were used to study the binding qualities and thermodynamic parameters. The complex showed good antibacterial action, significant cytotoxicity, and high affinity for DNA and protein binding.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Mohammed Zain Aldin, Guillermo Zaragoza, William Deschamps, Jean-Claude Didelot Tomani, Jacob Souopgui, Lionel Delaude
Summary: An efficient synthetic protocol was developed for the preparation of five cationic ruthenium-arene complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands, which were fully characterized using various analytical techniques. The compounds studied showed high solubility in water and exhibited strong cytotoxicity against leukemia cells.
INORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Cassia de Q. O. Cavalcante, Tales H. A. da Mota, Diego M. de Oliveira, Erica C. M. Nascimento, Joao B. L. Martins, Fabio Pittella-Silva, Claudia C. Gatto
Summary: In this study, two dithiocarbazate ligands derived from 1,1,1-trifluoro-2,4-pentanedione and their four Ni(II) complexes were synthesized and characterized. The crystal structure analysis revealed the cyclization reaction of the ligands and the formation of pyrazoline derivative. The coordination geometry of the complexes was found to be square planar, with dithiocarbazates coordinating through the ONS donor system. Hirshfeld surface analysis and mass spectrometry data provided insights into the molecular packing and fragmentation behavior of the compounds. Molecular docking simulations and cytotoxicity assays demonstrated the promising biological activity of the synthesized metal complexes.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Agnieszka Jablonska-Wawrzycka, Patrycja Rogala, Grzegorz Czerwonka, Slawomir Michalkiewicz, Maciej Hodorowicz, Katarzyna Galczynska, Beata Cieslak, Pawel Kowalczyk
Summary: This study investigated the inhibitory effects of a series of manganese complexes with different aromatic ligands on biofilm formation of Pseudomonas aeruginosa, showing good antibacterial activity without significant impact on human cell viability. The focus was on exploring the types of intermolecular interactions in the crystals of the complexes, structure-activity relationship, and correlation between electrochemical properties and anti-biofilm activity of the Mn(II) complexes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Rongrong Li, Yan Zhang, Yi Le, Li Liu, Guangju Zhao
Summary: Quinazolone is a heterocyclic scaffold with diverse biological activities, including antidiabetic, antithrombotic, antiviral, antibacterial, and antitumor properties. A new series of quinazolone derivatives, characterized by 1H-NMR, 13C-NMR, HRMS, FT-IR, and X-ray, were designed and synthesized. The density functional theory (DFT) calculation of compound 3f at the B3LYP/6-311 level was also studied. The antitumor activity of all synthesized compounds was evaluated using the MTT assay.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Medicinal
Merve Saylam, Fadime Aydin Kose, Aysun Pabuccuoglu, Duygu Barut Celepci, Muhittin Aygun, Varol Pabuccuoglu
Summary: Myeloperoxidase (MPO) is a key factor in the human antimicrobial system, oxidizing microorganisms through the production of hypochlorous acid. However, MPO can also be released outside cells and cause tissue damage. It has been associated with inflammatory diseases and is considered a potential therapeutic target. In this study, various derivatives were designed and tested for their inhibitory activity on MPO. Among them, C19 was found to be the most active inhibitor on both chlorination and peroxidation cycles.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Ananya Saju, Justin R. Griffiths, Samantha N. MacMillan, David C. Lacy
Summary: The complex [MnCl3(OPPh3)(2)] (1) is a bench-stable source of MnCl3 that can be used in coordination reactions and alkene dichlorinations in various solvents.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Ola A. El-Gammal, Farid Sh Mohamed, Ghada N. Rezk, Ashraf A. El-Bindary
Summary: Metal complexes of Co(II), Ni(II) and Cu(II) with a new Schiff base have been synthesized and characterized. The study suggests potential therapeutic applications against cancer and COVID-19. Additionally, antioxidant and antibacterial activities of these complexes have been evaluated.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Sergey N. Adamovich, Igor A. Ushakov, Elizaveta N. Oborina, Alexander V. Vashchenko, Igor B. Rozentsveig, Francis Verpoort
Summary: Metallated ionic liquids, known as hydrometallatranes, were synthesized by reacting triethanolamine with metal chlorides and acetates. The structure and properties of these liquids were confirmed using various spectroscopic and analytical techniques. It was found that they had potential inhibitory or stimulating effects on specific pathogenic bacteria. This study provides valuable insights into the synthesis and applications of these metal-based compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ariadni Zianna, Ellie Vradi, Antonios G. Hatzidimitriou, Stavros Kalogiannis, George Psomas
Summary: Five neutral zinc(ii) complexes were synthesized and characterized, and the crystal structures of complexes 1 and 3 were determined by single-crystal X-ray crystallography. These compounds exhibit DNA intercalation, moderate DNA cleavage, reversible binding to serum albumins, and antioxidant and antimicrobial activities.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Yulia P. Tupolova, Leonid D. Popov, Valery G. Vlasenko, Konstantin B. Gishko, Anna A. Kapustina, Alexandra G. Berejnaya, Yuliya A. Golubeva, Lyubov S. Klyushova, Elizaveta V. Lider, Vladimir A. Lazarenko, Stanislav S. Bachurin, Igor N. Shcherbakov
Summary: Based on the bis-hetarylhydrazone H2L, a series of mononuclear copper(ii) coordination compounds were synthesized and their structures were studied using several methods. The copper center in these compounds is in a square pyramidal environment. The cytotoxic activity of the compounds against HepG2 and MRC-5 cell lines was evaluated, and the Cu(ii) complexes showed significant dose-dependent cytotoxic effects.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Yan Zhang, Zhiwu Long, Nian Rao, Yi Le, Li Liu, Longjia Yan
Summary: A series of new phenylisoxazole derivatives were designed and synthesized for the development of antitumor compounds. The final compounds were characterized through various analytical techniques. The structure and properties of one specific compound (5a) were further confirmed using FT-IR and X-ray single crystal diffraction (XRD). The antitumor activity of all compounds was evaluated against A549 cell using MTT assay.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Food Science & Technology
M. J. Ramirez-Exposito, M. P. Carrera-Gonzalez, M. D. Mayas, J. M. Martinez-Martos
Summary: The formation of brain tumors is associated with oxidative stress and the imbalance in antioxidant defense systems. Phenolic compounds from olives have potential anticancer effects due to their antioxidant properties. The oral administration of these compounds in rats with induced brain tumors showed limited beneficial effects, influenced by the gender of the animals.
FOOD RESEARCH INTERNATIONAL
(2021)
Article
Energy & Fuels
Olmo Miguez-Salas, Javier Dorador, Francisco J. Rodriguez-Tovar, Fatima Linares
Summary: Micro-CT analysis was used to evaluate the effects of bioturbation on porosity distribution in contourite facies for the first time. Different trace maker behaviors may lead to variable changes in porosity distribution, with Macaronichnus and Chondrites showing significant impacts on porosity values.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Chemistry, Medicinal
Jose M. Mendez-Arriaga, Erika Rubio-Mirallas, Miguel Quiros, Manuel Sanchez-Moreno
Summary: This study investigates the antiparasitic efficacy of a series of zinc triazolopyrimidine complexes against Trypanosoma cruzi. The results suggest that these complexes exhibit promising trypanocidal effects, highlighting their potential as new drugs for Chagas disease treatment.
MEDICINAL CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Rodrigo Plaza-Pedroche, M. Paz Fernandez-Liencres, Sonia B. Jimenez-Pulido, Nuria A. Illan-Cabeza, Sylvain Achelle, Amparo Navarro, Julian Rodriguez-Lopez
Summary: The photophysical properties of a series of original compounds were investigated, and the emission control through proton transfer and protonation was demonstrated, showing potential applications in chemical sensing and anti-counterfeiting.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Inorganic & Nuclear
Beatriz Gil-Hernandez, Simon Millan, Irina Gruber, Miguel Quiros, David Marrero-Lopez, Christoph Janiak, Joaquin Sanchiz
Summary: Three copper(II)/mesoxalate-based MOFs were synthesized with different arrangements of cations, which have a significant impact on the proton conduction of the materials. These compounds also exhibit antiferromagnetic coupling.
INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Alexa Prescilla-Ledezma, Fatima Linares, Mariano Ortega-Munoz, Lissette Retana Moreira, Ana Belen Jodar-Reyes, Fernando Hernandez-Mateo, Francisco Santoyo-Gonzalez, Antonio Osuna
Summary: This study utilizes AFM-based single molecule-force spectroscopy to detect and locate functional trans-sialidases on the surface of extracellular vesicles released by tissue-culture cell-derived trypomastigotes. By engineering AFM cantilevers with functionalized tips bearing anti-TS antibodies, molecular recognition of trans-sialidases using antibody-antigen interaction is achieved. The results demonstrate that the extracellular vesicles isolated from tissue-culture cell-derived trypomastigotes are enriched in trans-sialidases.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Entomology
Jessica Carreira De Paula, Kevin Doello, Cristina Mesas, Garyfalia Kapravelou, Alberto Cornet-Gomez, Francisco Jose Orantes, Rosario Martinez, Fatima Linares, Jose Carlos Prados, Jesus Maria Porres, Antonio Osuna, Luis Miguel de Pablos
Summary: The study utilized Micro-CT and novel staining methods to characterize the morphoanatomical features of the worker honeybee abdomen, identifying a new cell type known as ventricular telocyte. This method is proposed to be useful in further investigating the structure of honeybee abdomen under various environmental conditions. Continuous improvements in morphological and histochemical analyses of Apis mellifera could enhance the understanding of their anatomy and physiology at cellular and tissue levels.
Article
Chemistry, Physical
Javier Alvarez-Conde, Andres Garzon-Ruiz, Amparo Navarro, Sonia B. Jimenez-Pulido, Pablo Gonzalez-Rodriguez, Juan Cabanillas-Gonzalez, Eva M. Garcia-Frutos
Summary: This work presents the synthesis, characterization, and theoretical calculations of two new diyne bridged azaindole derivatives. The study reveals that the presence of a diyne group leads to low rotational barrier and large conformational variability. The vibrational stretching mode of the diyne bridge has a significant contribution to non-radiative relaxation and weak fluorescence observed from the compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Clinical Neurology
Sabina de la Paz Bengoechea-Fortes, Maria Jesus Ramirez-Exposito, Jose Manuel Martinez-Martos
Summary: Suicide is a major public health problem worldwide and the second leading cause of death in the 15-29 age group. The present narrative review explores important aspects of suicide, including risk factors and physiological findings that can contribute to understanding this phenomenon. Objective measures, such as increased neuroinflammation, hyperactivity of the hypothalamic-pituitary-adrenal axis, and alterations in serotonin and vitamin D levels, have been found in individuals who have died by suicide. This review highlights the need for multidisciplinary approaches to address suicide and raise awareness of its significance.
EUROPEAN ARCHIVES OF PSYCHIATRY AND CLINICAL NEUROSCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quiros, Saulius Grazulis
Summary: This publication presents a method to cross-check chemical descriptions using a canonical representation and isomorphism of molecular graphs. The algorithm derives the minimal set of simplifications required for both descriptions to arrive at a matching form. It is used to identify coherently described entries and those requiring further curation in the Crystallography Open Database.
JOURNAL OF CHEMINFORMATICS
(2023)
Article
Genetics & Heredity
Alma Rus, Jose Alberto Lopez-Sanchez, Jose Manuel Martinez-Martos, Maria Jesus Ramirez-Exposito, Francisco Molina, Maria Correa-Rodriguez, Maria Encarnacion Aguilar-Ferrandiz
Summary: This study evaluated circulating free amino acid (AA) levels in fibromyalgia patients and found an imbalance in most AAs, suggesting a metabolic disturbance in fibromyalgia. Determining the serum levels of these AAs may aid in the diagnosis of fibromyalgia.
MOLECULAR DIAGNOSIS & THERAPY
(2023)
Article
Genetics & Heredity
Cristina Cueto-Urena, Maria Jesus Ramirez-Exposito, Maria Dolores Mayas, Maria Pilar Carrera-Gonzalez, Alicia Godoy-Hurtado, Jose Manuel Martinez-Martos
Summary: Extensive research efforts in brain tumor studies have led to the reclassification of tumors by WHO and the identification of molecular subtypes. The imbalances in antioxidant defense systems, leading to excessive production of reactive oxygen species, have been recognized as key mechanisms contributing to tumor initiation. This study investigated the gene expression patterns of glutathione peroxidase isoforms in brain tissue obtained from rats, revealing elevated expression levels in tumor tissue and gender differences in expression profiles.
Review
Biochemistry & Molecular Biology
Maria Pilar Carrera-Gonzalez, Maria Jesus Ramirez-Exposito, Carmen Guerrero-Gonzalez, Jose Manuel Martinez-Martos
Summary: One of the diseases associated with the aging population is Alzheimer's disease, which lacks effective diagnosis biomarkers or treatments. Given its higher prevalence in women, it is important to study systems and pathways that might contribute to its development, such as the brain renin-angiotensin system and its regulatory enzymes. This system, modulated by estrogens, is connected with cerebral glucose metabolism through the angiotensin IV receptor, known as IRAP. Understanding the connection between these elements may offer insights into the molecular mechanisms of Alzheimer's disease and lead to new diagnostic and therapeutic targets.
AIMS MOLECULAR SCIENCE
(2023)
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)