MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163773
Julie Vatté, V. Bourdeau, Gerardo Ferbeyre, A. Schmitzer
{"title":"Gaining Insight into Mitochondrial Targeting: AUTAC-Biguanide as an Anticancer Agent","authors":"Julie Vatté, V. Bourdeau, Gerardo Ferbeyre, A. Schmitzer","doi":"10.3390/molecules29163773","DOIUrl":"https://doi.org/10.3390/molecules29163773","url":null,"abstract":"AUTAC-Biguanide is a hybrid compound designed to target mitochondria, inducing their degradation by mitophagy. This study unveils the potential of biguanides as cancer cell-targeting agents, emphasizing AUTAC-Biguanide’s superior antiproliferative properties compared to metformin and its selectivity for cancer cells. The mechanism behind this heightened effect includes the ability of AUTAC-Biguanide to trigger mitophagy. By providing a comprehensive analysis of these findings, this study adds valuable insights to the field of mitochondrial-targeting anticancer agents.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"38 18","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163776
Nikša Bekavac, M. Benković, Tamara Jurina, D. Valinger, J. Gajdoš Kljusurić, Ana Jurinjak Tušek, Anita Šalić
{"title":"Advancements in Aqueous Two-Phase Systems for Enzyme Extraction, Purification, and Biotransformation","authors":"Nikša Bekavac, M. Benković, Tamara Jurina, D. Valinger, J. Gajdoš Kljusurić, Ana Jurinjak Tušek, Anita Šalić","doi":"10.3390/molecules29163776","DOIUrl":"https://doi.org/10.3390/molecules29163776","url":null,"abstract":"In recent years, the increasing need for energy conservation and environmental protection has driven industries to explore more efficient and sustainable processes. Liquid–liquid extraction (LLE) is a common method used in various sectors for separating components of liquid mixtures. However, the traditional use of toxic solvents poses significant health and environmental risks, prompting the shift toward green solvents. This review deals with the principles, applications, and advantages of aqueous two-phase systems (ATPS) as an alternative to conventional LLE. ATPS, which typically utilize water and nontoxic components, offer significant benefits such as high purity and single-step biomolecule extraction. This paper explores the thermodynamic principles of ATPS, factors influencing enzyme partitioning, and recent advancements in the field. Specific emphasis is placed on the use of ATPS for enzyme extraction, showcasing its potential in improving yields and purity while minimizing environmental impact. The review also highlights the role of ionic liquids and deep eutectic solvents in enhancing the efficiency of ATPS, making them viable for industrial applications. The discussion extends to the challenges of integrating ATPS into biotransformation processes, including enzyme stability and process optimization. Through comprehensive analysis, this paper aims to provide insights into the future prospects of ATPS in sustainable industrial practices and biotechnological applications.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"44 27","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163767
Martyna Koplūnaitė, Kamilė Butkutė, J. Stankevičiūtė, R. Meškys
{"title":"Exploring the Mutated Kinases for Chemoenzymatic Synthesis of N4-Modified Cytidine Monophosphates","authors":"Martyna Koplūnaitė, Kamilė Butkutė, J. Stankevičiūtė, R. Meškys","doi":"10.3390/molecules29163767","DOIUrl":"https://doi.org/10.3390/molecules29163767","url":null,"abstract":"Nucleosides, nucleotides, and their analogues are an important class of molecules that are used as substrates in research of enzymes and nucleic acid, or as antiviral and antineoplastic agents. Nucleoside phosphorylation is usually achieved with chemical methods; however, enzymatic phosphorylation is a viable alternative. Here, we present a chemoenzymatic synthesis of modified cytidine monophosphates, where a chemical synthesis of novel N4-modified cytidines is followed by an enzymatic phosphorylation of the nucleosides by nucleoside kinases. To enlarge the substrate scope, multiple mutant variants of Drosophila melanogaster deoxynucleoside kinase (DmdNK) (EC:2.7.1.145) and Bacillus subtilis deoxycytidine kinase (BsdCK) (EC:2.7.1.74) have been created and tested. It has been determined that certain point mutations in the active sites of the kinases alter their substrate specificities noticeably and allow phosphorylation of compounds that had been otherwise not phosphorylated by the wild-type DmdNK or BsdCK.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"3 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141921274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163768
Xi Zhu, Yong Guo, Baozhan Zheng
{"title":"Graphene Oxide Covalently Functionalized with 5-Methyl-1,3,4-thiadiazol-2-amine for pH-Sensitive Ga3+ Recovery in Aqueous Solutions","authors":"Xi Zhu, Yong Guo, Baozhan Zheng","doi":"10.3390/molecules29163768","DOIUrl":"https://doi.org/10.3390/molecules29163768","url":null,"abstract":"A novel graphene-based composite, 5-methyl-1,3,4-thiadiazol-2-amine (MTA) covalently functionalized graphene oxide (GO-MTA), was rationally developed and used for the selective sorption of Ga3+ from aqueous solutions, showing a higher adsorption capacity (48.20 mg g−1) toward Ga3+ than In3+ (15.41 mg g−1) and Sc3+ (~0 mg g−1). The adsorption experiment’s parameters, such as the contact time, temperature, initial Ga3+ concentration, solution pH, and desorption solvent, were investigated. Under optimized conditions, the GO-MTA composite displayed the highest adsorption capacity of 55.6 mg g−1 toward Ga3+. Moreover, a possible adsorption mechanism was proposed using various characterization methods, including scanning electron microscopy (SEM) equipped with X-ray energy-dispersive spectroscopy (EDS), elemental mapping analysis, Fourier transform infrared (FT-IR) spectroscopy, and X-ray photoelectron spectroscopy (XPS). Ga3+ adsorption with the GO-MTA composite could be better described by the linear pseudo-second-order kinetic model (R2 = 0.962), suggesting that the rate-limiting step may be chemical sorption or chemisorption through the sharing or exchange of electrons between the adsorbent and the adsorbate. Importantly, the calculated qe value (55.066 mg g−1) is closer to the experimental result (55.60 mg g−1). The well-fitted linear Langmuir isothermal model (R2 = 0.972~0.997) confirmed that an interfacial monolayer and cooperative adsorption occur on a heterogeneous surface. The results showed that the GO-MTA composite might be a potential adsorbent for the enrichment and/or separation of Ga3+ at low or ultra-low concentrations in aqueous solutions.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"49 16","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141923678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163777
Matheus M. da Silva, C. F. R. de Oliveira, Claudiane V. Almeida, Ismaell A. S. Sobrinho, M. L. Macedo
{"title":"A Novel Kunitz Trypsin Inhibitor from Enterolobium gummiferum Seeds Exhibits Antibiofilm Properties against Pathogenic Yeasts","authors":"Matheus M. da Silva, C. F. R. de Oliveira, Claudiane V. Almeida, Ismaell A. S. Sobrinho, M. L. Macedo","doi":"10.3390/molecules29163777","DOIUrl":"https://doi.org/10.3390/molecules29163777","url":null,"abstract":"Plant peptidase inhibitors play crucial roles in plant defence mechanisms and physiological processes. In this study, we isolated and characterised a Kunitz trypsin inhibitor from Enterolobium gummiferum seeds named EgPI (E. gummiferum peptidase inhibitor). The purification process involved two chromatography steps using size exclusion and hydrophobic resins, resulting in high purity and yield. EgPI appeared as a single band of ~20 kDa in SDS-PAGE. Under reducing conditions, the inhibitor exhibited two polypeptide chains, with 15 and 5 kDa. Functional characterisation revealed that EgPI displayed an inhibition stoichiometry of 1:1 against trypsin, with a dissociation constant of 8.4 × 10−9 mol·L−1. The amino-terminal sequencing of EgPI revealed the homology with Kunitz inhibitors. Circular dichroism analysis provided insights into the secondary structure of EgPI, which displayed the signature typical of Kunitz inhibitors. Stability studies demonstrated that EgPI maintained the secondary structure necessary to exhibit its inhibitory activity up to 70 °C and over a pH range from 2 to 8. Microbiological screening revealed that EgPI has antibiofilm properties against pathogenic yeasts at 1.125 μmol·L−1, and EgPI reduced C. albicans biofilm formation by 82.7%. The high affinity of EgPI for trypsin suggests potential applications in various fields. Furthermore, its antibiofilm properties recommended its usefulness in agriculture and antimicrobial therapy research, highlighting the practical implications of our research.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"51 40","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141923652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163769
Katinka Tarnóczi, Orsolya Geda, T. Tábi, É. Szökő
{"title":"Capillary Electrophoresis-Laser Induced Fluorescence Method Development and Validation for Quantification of Nine Gangliosides—Application to Analysis of Cell Lines of CNS Origin","authors":"Katinka Tarnóczi, Orsolya Geda, T. Tábi, É. Szökő","doi":"10.3390/molecules29163769","DOIUrl":"https://doi.org/10.3390/molecules29163769","url":null,"abstract":"Gangliosides are sialic acid-containing glycosphingolipids that play an essential role in many biological and pathophysiological processes. They are present in high amounts in the central nervous system and their abnormal metabolism or expression has been observed in many diseases. We have developed and validated a sensitive capillary electrophoresis laser-induced fluorescence (CE-LIF) method for the separation and quantification of oligosaccharides digested from nine gangliosides of high biological relevance. APTS was used for the labeling of the glycans. Reverse polarity CE was performed for the separation of the labeled glycans bearing negative charges. The optimized background electrolyte is a 15 mM lithium acetate buffer with pH of 5 containing 5% w/v linear polyacrylamide, which allows for the separation of all nine gangliosides. Validation parameters including linearity, precision, and accuracy were evaluated. LOQ and LOD were in the nM range, comparable to those of LC-MS techniques. The method was used to identify and quantify the ganglioside pattern of glioblastoma and neuroblastoma cell lines. The presented method is a valuable tool for further investigations aiming at understanding the role of gangliosides in various neurological diseases or CNS tumors.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"39 38","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163774
Xiangping Pan, Ying Meng, Qingwang Liu, Mai Xu
{"title":"Construction of Ag3PO4/g-C3N4 Z-Scheme Heterojunction Composites with Visible Light Response for Enhanced Photocatalytic Degradation","authors":"Xiangping Pan, Ying Meng, Qingwang Liu, Mai Xu","doi":"10.3390/molecules29163774","DOIUrl":"https://doi.org/10.3390/molecules29163774","url":null,"abstract":"Ag3PO4/g-C3N4 photocatalytic composites were synthesized via calcination and hydrothermal synthesis for the degradation of rhodamine B (RhB) in wastewater, and characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and diffuse reflectance spectroscopy (DRS). The degradation of RhB by Ag3PO4/g-C3N4 composites was investigated to evaluate their photocatalytic performance and cyclic degradation stability. The experimental results showed that the composites demonstrated notable photocatalytic activity and stability during degradation. Their high degradation efficiency is attributed to the Z-scheme transfer mechanism, in which the electrons in the Ag3PO4 conduction band and the holes in the g-C3N4 valence band are annihilated by heterojunction recombination, which greatly limits the recombination of photogenerated electrons and holes in the catalyst and enhances the activity of the composite photocatalyst. In addition, measurements of photocurrent (PC) and electrochemical impedance spectroscopy (EIS) confirmed that the efficient charge separation of photo-generated charges stemmed from strong interactions at the close contact interface. Finally, the mechanism for catalytic enhancement in the composite photocatalysts was proposed based on hole and radical trapping experiments, electron paramagnetic resonance (EPR) analysis, and work function evaluation.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"34 42","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163775
Angie V. Lasso-Escobar, Elkin Darío C. Castrillon, Jorge Acosta, Sandra Navarro, Estefanía Correa-Penagos, John Rojas, Yenny P. Ávila-Torres
{"title":"Modulation of Electronic Availability in g-C3N4 Using Nickel (II), Manganese (II), and Copper (II) to Enhance the Disinfection and Photocatalytic Properties","authors":"Angie V. Lasso-Escobar, Elkin Darío C. Castrillon, Jorge Acosta, Sandra Navarro, Estefanía Correa-Penagos, John Rojas, Yenny P. Ávila-Torres","doi":"10.3390/molecules29163775","DOIUrl":"https://doi.org/10.3390/molecules29163775","url":null,"abstract":"Carbon nitrides can form coordination compounds or metallic oxides in the presence of transition metals, depending on the reaction conditions. By adjusting the pH to basic levels for mild synthesis with metals, composites like g-C3N4-M(OH)x (where M represents metals) were obtained for nickel (II) and manganese (II), while copper (II) yielded coordination compounds such as Cu-g-C3N4. These materials underwent spectroscopic and electrochemical characterization, revealing their photocatalytic potential to generate superoxide anion radicals—a feature consistent across all metals. Notably, the copper coordination compound also produced significant hydroxyl radicals. Leveraging this catalytic advantage, with band gap energy in the visible region, all compounds were activated to disinfect E. coli bacteria, achieving total disinfection with Cu-g-C3N4. The textural properties influence the catalytic performance, with copper’s stabilization as a coordination compound enabling more efficient activity compared to the other metals. Additionally, the determination of radicals generated under light in the presence of dicloxacillin supported the proposed mechanism and highlighted the potential for degrading organic molecules with this new material, alongside its disinfectant properties.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"26 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2024-08-09DOI: 10.3390/molecules29163770
Lorenzo Francesco Madeo, Christine Schirmer, G. Cirillo, Ayah Nader Asha, Rasha Ghunaim, Samuel Froeschke, Daniel Wolf, M. Curcio, Paola Tucci, F. Iemma, Bernd Büchner, S. Hampel, Michael Mertig
{"title":"ZnO–Graphene Oxide Nanocomposite for Paclitaxel Delivery and Enhanced Toxicity in Breast Cancer Cells","authors":"Lorenzo Francesco Madeo, Christine Schirmer, G. Cirillo, Ayah Nader Asha, Rasha Ghunaim, Samuel Froeschke, Daniel Wolf, M. Curcio, Paola Tucci, F. Iemma, Bernd Büchner, S. Hampel, Michael Mertig","doi":"10.3390/molecules29163770","DOIUrl":"https://doi.org/10.3390/molecules29163770","url":null,"abstract":"A ZnO-Graphene oxide nanocomposite (Z-G) was prepared in order to exploit the biomedical features of each component in a single anticancer material. This was achieved by means of an environmentally friendly synthesis, taking place at a low temperature and without the involvement of toxic reagents. The product was physicochemically characterized. The ZnO-to-GO ratio was determined through thermogravimetric analysis, while scanning electron microscopy and transmission electron microscopy were used to provide insight into the morphology of the nanocomposite. Using energy-dispersive X-ray spectroscopy, it was possible to confirm that the graphene flakes were homogeneously coated with ZnO. The crystallite size of the ZnO nanoparticles in the new composite was determined using X-ray powder diffraction. The capacity of Z-G to enhance the toxicity of the anticancer drug Paclitaxel towards breast cancer cells was assessed via a cell viability study, showing the remarkable anticancer activity of the obtained system. Such results support the potential use of Z-G as an anticancer agent in combination with a common chemotherapeutic like Paclitaxel, leading to new chemotherapeutic formulations.","PeriodicalId":503105,"journal":{"name":"Molecules","volume":"23 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141925154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}