Article
Chemistry, Multidisciplinary
Siming Yuan, Yang Zhu, Yi Dai, Yu Wang, Duo Jin, Manman Liu, Liqin Tang, Fabio Arnesano, Giovanni Natile, Yangzhong Liu
Summary: Pt-IV prodrugs can overcome resistance and side effects of conventional Pt-II anticancer therapies by efficiently promoting the two electrons reduction of Pt-IV to Pt-II. The activation of Pt-FBA is highly dependent upon the type of cancer cells, and FBA can shuttle out of the cell after Pt-FBA is reduced intracellularly. The F-19 NMR approach has the advantage of avoiding the interference of all background signals when investigating the activation of Pt-IV prodrugs.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Biochemistry & Molecular Biology
Nayera I. Mansour, Selwan M. El-Sayed, Nadia S. El-Gohary, Naglaa I. Abdel-Aziz, Hussein I. El-Subbagh, Mariam A. Ghaly
Summary: A series of novel phthalimide derivatives were synthesized and evaluated for their in vitro antitumor activity. Compound 32 showed the most potent activity, while compounds 33, 22, and 24 exhibited strong activity against all tested cell lines. Compound 32 also displayed promising EGFR-TK inhibition activity, making it a potential template for further optimization.
BIOORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Saibin Zhu, Yeji Wang, Zhongqing Wen, Yanwen Duan, Yong Huang
Summary: The study revealed that Huanglongmycin congener 14 exhibited stronger cytotoxicity against tested cancer cells, and highlighted the critical role of the C-7 ethyl group of 14 in its binding to the DNA-topoisomerase I complex.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Jennifer Patino-Alonso, Justo Cabrera-Gonzalez, Javier Merino, Gema Nieto-Ortiz, Fatima Lasala, Jouma Katati, Carlos H. Bezerra da Cruz, Ajay K. Monnappa, Pablo Mateos-Gil, Angeles Canales, Ivan Lopez-Montero, Beatriz M. Illescas, Rafael Delgado, Nazario Martin
Summary: This article discusses the use of glycomimetics to inhibit SARS-CoV-2 infection through DC-SIGN blockade, and introduces the design and effectiveness of multivalent nanostructures based on glycosylated [60]fullerenes.
Article
Chemistry, Multidisciplinary
Hui-Ping Xiao, Ya-Shuai Hao, Xin-Xiong Li, Peng Xu, Ming-Dong Huang, Shou-Tian Zheng
Summary: This study reports a giant Sb-rich polyoxometalate (POM) {Sb21Tb7W56}, which contains the largest number of Sb atoms in a POM. The Sb-rich POM exhibits broad-spectrum antitumor activity against various cancer cell lines and is capable of suppressing the growth and metastasis of a breast cancer in vivo.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Mayursinh Zala, Jwalant J. Vora, Vijay M. Khedkar
Summary: To enhance the effectiveness of antitubercular drugs, a series of novel pyrazolylpyrazoline derivatives were synthesized through a one-pot multicomponent reaction. The green synthesis method offered advantages such as simplicity and shorter reaction time. Among the compounds tested, 9i, 9k, 9l, 9o, and 9p showed the highest efficacy against Mycobacterium tuberculosis H(37)Rv. Structural determination of the newly synthesized compounds was conducted using spectral methods. Molecular docking studies revealed strong binding affinities between these compounds and the active site of mycobacterial InhA enzyme.
Article
Biochemistry & Molecular Biology
Kerong Guo, Jian Li, Yingdong Jia, Xiaojuan Yang, Xiqing Yan, Liqiang Wu
Summary: In this study, novel quinolinedione-linked sulfonylpiperazine derivatives were investigated as NQO1-directed antitumor agents. Most of the compounds showed higher effectiveness in inhibiting cancer cell proliferation compared to 5-Fu and TSA. Among them, compound 22r exhibited significant anti-proliferative activity against NQO1-rich cancer cells and was recognized as an excellent substrate for NQO1. Mechanistic studies revealed that 22r induced ROS production, DNA damage, and apoptosis in HepG2 cells. Remarkably, compound 22r also showed excellent anticancer activity in HepG2 xenograft models. Overall, this study demonstrated that compound 22r could be a promising strategy for the treatment of malignant tumors.
BIOORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Nanees N. Soliman, Yasmin M. Tag, Nesma M. Bayoumy
Summary: In this study, a series of new heterocyclic compounds were synthesized using Bis enaminone derivative 6 and different bifunctional reagents, and their structures were confirmed by analytical and spectral data. The synthesized compounds were screened for in-vitro antitumor activity, with compounds 18, 19, and 20a showing good activity. Molecular docking studies of these compounds were also conducted using vascular endothelial growth factor receptor.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2021)
Review
Biotechnology & Applied Microbiology
Priyanka Thakur, Neeraj K. Saini, Vijay Kumar Thakur, Vijai Kumar Gupta, Reena V. Saini, Adesh K. Saini
Summary: Rhamnolipids are potent biosurfactants produced mainly by Pseudomonas aeruginosa, with a wide range of potential applications in therapy, immunomodulation, and antimicrobial activities. They also show promise in reducing post-harvest decay of food products.
MICROBIAL CELL FACTORIES
(2021)
Article
Biochemistry & Molecular Biology
Wenxi Cai, Jingwei Wu, Yingzhan Sun, Ailin Liu, Runling Wang, Ying Ma, Shuqing Wang, Weili Dong
Summary: Novel pyrazole-containing imide derivatives demonstrated significant inhibitory activity against various cancer cell lines, with compounds A2, A4, and A11 showing the highest potency and targeting Hsp90 alpha as a potential drug target.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Multidisciplinary
Anna Berlicka, Paulina Forys-Martowlos, Michal J. Bialek, Katarzyna Stasiak, Aleksandra Walczak, Agnieszka Wojcik, Agata Bialonska, Lechoslaw Latos-Grazynski
Summary: The oxidation of 10,15-diaryl-21-carba-23-selenaporphyrinoids resulted in the formation of dyads. The dimerization process followed a [5+2] cycloaddition path, leading to the formation of an azepine unit. The unique arrangement of two carbaporphyrinoid planes resembling an open seashell-like motif was observed in the covalently linked selenacarbaporphyrinic dyads, formed via the [5+2] cycloaddition reaction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Elena Calatrava-Perez, Luke A. Marchetti, Gavin J. McManus, Dylan M. Lynch, Robert B. P. Elmes, D. Clive Williams, Thorfinnur Gunnlaugsson, Eoin M. Scanlan
Summary: Real-time tracking of prodrug uptake, delivery and activation using novel glycosylated theranostics of the cancer pharmacophore Amonafide demonstrates highly-selective, enzymatic triggered release, preserving the potent cytotoxicity of Amonafide through targeted approach.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Review
Chemistry, Multidisciplinary
Mimi Wan, Ting Li, Huan Chen, Chun Mao, Jian Shen
Summary: Micro/nanomotors with active movement have the potential to overcome the limitations of traditional drug delivery systems, but their application in vivo is still in its early stages due to the complexity and specificity of diseases in the human body. Research focuses on the biosafety, functionality, and treatment challenges of micro/nanomotors in different diseases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Biochemistry & Molecular Biology
Moataz A. Shaldam, Hadia Almahli, Andrea Angeli, Rehab Mustafa Badi, Eman F. Khaleel, Abdelrahman I. Zain-Alabdeen, Zainab M. Elsayed, Eslam B. Elkaeed, Rofaida Salem, Claudiu T. Supuran, Wagdy M. Eldehna, Haytham O. Tawfik
Summary: New isatin-based sulphonamides were synthesized as potential dual VEGFR-2 and carbonic anhydrase inhibitors with anticancer activities. The most potent derivatives showed strong VEGFR-2 inhibitory effect but failed to inhibit relevant CA isoforms. Two derivatives were further tested for their impact on cell cycle disturbance and apoptotic potential. Molecular modelling analyses were conducted to assess the binding mode and stability of the target compounds.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2023)
Review
Chemistry, Inorganic & Nuclear
Jean-Francois Longevial, Clemence Rose, Ludivine Poyac, Sebastien Clement, Sebastien Richeter
Summary: This review discusses the importance of porphyrins and N-heterocyclic carbenes in coordination and organometallic chemistry, highlighting their wide applications in metal complexes and catalysis, and specifically describing structural diversity, electronic interplay, and relevant applications in catalysis and biomedicine.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Jannis Barrera, Haleh H. Haeri, Julian Heinrich, Matthias Stein, Dariush Hinderberger, Nora Kulak
Summary: Cu(ii) complexes with ATCUN peptide ligands were investigated for their ROS generation and oxidative DNA degradation abilities. However, the biological activity of most ATCUN complexes such as Cu-GGH (Gly-Gly-His) is low. Tuning the redox chemistry by incorporating N-heteroaromatics reinstates ROS production, leading to efficient DNA cleavage.
DALTON TRANSACTIONS
(2023)
Article
Biochemistry & Molecular Biology
Barbara Bonomelli, Stefano Busti, Enzo Martegani, Sonia Colombo
Summary: Previously, we found that an abnormal accumulation of activated Ras in mitochondria is associated with increased apoptosis. In this article, we confirm this correlation by showing that the lack of trehalose-6P-synthase, which triggers apoptosis in Saccharomyces cerevisiae, leads to the localization of active Ras proteins in mitochondria. Furthermore, we demonstrate that active Ras2 proteins, accumulated in mitochondria in response to acetic acid, are likely involved in regulated cell death, while constitutively localized Ras1 proteins in mitochondria may play a role in promoting cell survival. Finally, we reveal that active mitochondrial Ras proteins promote apoptosis through the cAMP/PKA pathway, demonstrated by characterizing the gpa2 Delta and cyr1 Delta mutants.
Article
Biochemistry & Molecular Biology
Robert Creutznacher, Eric Schulze-Niemand, Patrick Koenig, Vesna Stanojlovic, Alvaro Mallagaray, Thomas Peters, Matthias Stein, Mario Schubert
Summary: The accelerated deamidation of asparagine 373 into isoaspartate is found to weaken the binding of histo blood group antigens (HBGAs) to the capsid protein of a prevalent norovirus strain. Unusual backbone conformation of asparagine 373 is linked to its fast site-specific deamidation. Molecular dynamics simulations and experimental techniques have shed light on this phenomenon, suggesting that stabilization of the rare syn-backbone conformation enhances the nucleophilicity of the neighboring aspartate residue and accelerates the deamidation process.
Article
Chemistry, Physical
Vishakha Kaim, Meenakshi Joshi, Matthias Stein, Sandeep Kaur-Ghumaan
Summary: Molecular hydrogen is a potential energy source for replacing fossil fuels in the future, and enzymatic systems provide inspiration for the design of novel catalysts. This study synthesized and characterized a new mononuclear ruthenium(II) complex, which showed remarkable catalytic activity for hydrogen production in the presence of acid.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Review
Biochemistry & Molecular Biology
Valentina Artusa, Luana Calabrone, Lorenzo Mortara, Francesco Peri, Antonino Bruno
Summary: Cancer stem cells (CSCs) are important tumour-initiating cells that play a crucial role in recurrence after chemotherapy. Targeting CSCs by exploiting their signature molecular pathways offers opportunities for therapies. Inhibiting stemness can reduce the risk posed by CSCs, limiting their capacity for tumorigenesis, proliferation, metastasis, and recurrence. This article discusses the role of CSCs in tumour biology, CSC therapy resistance mechanisms, the role of the gut microbiota in cancer development and treatment, and current advances in discovering microbiota-derived natural compounds targeting CSCs.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Medicinal
Metehan Ilter, Eric Schulze-Niemand, Michael Naumann, Matthias Stein
Summary: DUBs are crucial enzymes that regulate protein signaling, and Cezanne-1 is an effective DUB that cleaves specific ubiquitin chains. Molecular dynamics simulations reveal that Cezanne-1 undergoes multiple critical dynamic transitions during activation and catalysis, which cannot be fully characterized by protein structures alone. The use of activity-based probes may lead to non-native protein-protein contacts, necessitating the resolution of this issue for accurate evaluation of physiological states and substrate binding.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Multidisciplinary
Ravi Kumar, Matthias Stein
Summary: Recently, it was discovered that the oxygen tolerance of the [NiFe]-hydrogenase from H. thermoluteolus stems from an unusual coordination sphere of the active site nickel atom. In the oxidized state, a terminal cysteine residue is displaced by a bidentate coordinating nearby glutamate, resulting in its occupation of a third bridging position.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Biochemistry & Molecular Biology
Alice Italia, Mohammed Monsoor Shaik, Francesco Peri
Summary: This review presents and discusses emerging pharmacological strategies that target major virulence factors of antibiotic-resistant Mycobacterium tuberculosis (Mtb). It is divided into three parts focusing on the cell wall, lipoarabinomannan, and secretory proteins, which play important roles in Mtb pathogenicity. The article provides a comprehensive overview of drugs and drug candidates that target cell walls, envelopes, and secretory systems, and also highlights the molecular understanding of Mtb pathogenesis and potential future directions in therapeutic strategies for combating antibiotic-resistant Mtb infection.
Article
Biochemistry & Molecular Biology
Alessandro Palmioli, Luca Moretti, Carlo Alberto Vezzoni, Laura Legnani, Paola Sperandeo, Laura Baldini, Francesco Sansone, Cristina Airoldi, Alessandro Casnati
Summary: We synthesized a new class of multivalent glycoconjugates for the treatment of UTIs caused by UPEC. These compounds showed increased inhibitory potency against FimH-mediated adhesion processes compared to previous dendrimers, as demonstrated by yeast agglutination assay. Furthermore, the direct molecular interaction between the compounds and FimH protein was confirmed by on-cell NMR experiments.
BIOORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Carlotta Ciaramelli, Alessandro Palmioli, Maura Brioschi, Simona Viglio, Maura D'Amato, Paolo Iadarola, Solveig Tosi, Laura Zucconi, Cristina Airoldi
Summary: In Antarctica, ice-free areas harbor microorganisms adapted to harsh conditions. This study presents an efficient protocol for extracting and metabolically profiling Antarctic soils using NMR spectroscopy and mass spectrometry. The results demonstrate the complementarity of the two techniques and their suitability for analyzing underexplored samples.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Alessio Romerio, Ana Rita Franco, Melanie Shadrick, Mohammed Monsoor Shaik, Valentina Artusa, Alice Italia, Federico Lami, Alexei V. Demchenko, Francesco Peri
Summary: This study developed a series of structurally simplified synthetic TLR4 agonists as vaccine adjuvants by mimicking the lipid A portion of LPS. Introducing a monosaccharide unit in C6 can improve the target affinity of the new molecules, which showed higher activity and selectivity in vitro.
Article
Chemistry, Inorganic & Nuclear
Jan-Christian Raabe, Tobias Esser, Froze Jameel, Matthias Stein, Jakob Albert, Maximilian J. Poller
Summary: Transition-metal substituted Keggin-type polyoxometalates (POMs) have attracted great interest due to their potential applications in biomedicine, material science, and catalysis. In this study, we developed a reliable procedure for synthesizing the unstable lacunary compound [PMo9O34](9-) and applied it in an in situ approach for the synthesis of different metal-substituted POMs. By generating the lacunary species in situ and adding another precursor compound, we successfully synthesized several new specific element-substituted POMs. A novel membrane-based nanofiltration process was utilized for the separation of by-products from the synthesis, achieving >99% rejection of the POM components.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Martynas Gavutis, Eric Schulze-Niemand, Hung-Hsun Lee, Bo Liedberg, Matthias Stein, Ramunas Valiokas
Summary: This study combines computational and experimental methods to investigate the fusion of small unilamellar vesicles (SUVs) on mixed self-assembled monolayers (SAMs) with different deuterated tether moieties. Initially, tethered bilayer lipid membrane (tBLM) formation was studied on SAMs with controlled tether surface densities using quartz crystal microbalance with dissipation monitoring (QCM-D). Molecular dynamics simulations were then used to understand the interaction mechanisms between the SUVs and different phases formed by the deuterated tethers. Real-time kinetics were recorded using QCM-D under different osmotic conditions to determine lipid mass accumulation and fusion process. The study reveals the key factors for SUV fusion and tBLM formation on the surfaces, and shows the advantages of the sparsely tethered tBLM system in studying various biophysical phenomena.
Article
Chemistry, Physical
Martin Gerlach, Froze Jameel, Andreas Seidel-Morgenstern, Matthias Stein, Christof Hamel
Summary: In addition to activity and selectivity, understanding the deactivation processes is essential for a comprehensive understanding of catalyst stability. This study explores catalyst deactivation in the hydroformylation reaction using Rh/BiPhePhos catalyst and hydroperoxides. By investigating the structural changes of the catalyst with operando FTIR spectroscopy and kinetic perturbation experiments, the loss of regioselectivity in the hydroformylation reaction is correlated with the degradation of the catalyst. The developed kinetic model predicts the critical degradation of the ligand and provides a model-based approach for process stabilization and optimization.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Biotechnology & Applied Microbiology
Marcella de Divitiis, Diletta Ami, Alex Pessina, Alessandro Palmioli, Barbara Sciandrone, Cristina Airoldi, Maria Elena Regonesi, Luca Brambilla, Marina Lotti, Antonino Natalello, Stefania Brocca, Marco Mangiagalli
Summary: The use of cheese whey permeate (CWP) as an alternative inducer to produce recombinant proteins can reduce the production costs and exploit a waste product. The high lactose content and antioxidant properties of CWP contribute to similar protein yields as traditional inducers.
BIOTECHNOLOGY FOR BIOFUELS AND BIOPRODUCTS
(2023)
