Article
Biochemistry & Molecular Biology
Yue Chen, Fei Qi, Fan Gao, Huifen Cao, Dongyang Xu, Kourosh Salehi-Ashtiani, Philipp Kapranov
Summary: This study identified a naturally occurring ribozyme in humans through a genome-wide approach, revealing its evolutionary path and potential functional role in vivo.
NATURE CHEMICAL BIOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Saurja DasGupta, Kamila Nykiel, Joseph A. Piccirilli
Summary: Mutational connections in sequence space enabled two seemingly unrelated ribozymes to share catalytic functions, potentially suggesting a shared evolutionary history among RNAs with distinct sequences, structures, and functions. The intersection of neutral networks of these ribozymes may have played a role in evolutionary diversification in an RNA world.
Article
Chemistry, Inorganic & Nuclear
Linchen Xie, Anqi He, Da Li, Tianyi Li, Limin Yang, Kun Huang, Yizhuang Xu, Guozhong Zhao, Jingyu Liu, Kexin Liu, Jiaer Chen, Yukihiro Ozaki, Isao Noda
Summary: This study describes the single-crystal structures of complexes formed by erbium and strontium with myo-inositol. The deprotonation of one hydroxyl group in myo-inositol occurs, which is involved in the formation of a mu 2-bridge. The polarization from two Er3+ ions activates the chemically inert hydroxyl group and promotes deprotonation. The deprotonation reaction shows regioselectivity/chiral selectivity. The double ax-eq motif can be used for the rational design of high-performance catalysts with high regioselectivity/chiral selectivity.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Catalina Cortes-Guajardo, Francisca Rojas-Hernandez, Romina Paillao-Bustos, Marjorie Cepeda-Plaza
Summary: This article explores the role of the divalent metal ion in the mechanism of the 8-17 DNAzyme, confirming its function as a general acid through experimental verification. The study suggests that the hydrated metal ion stabilizes the 5’-O leaving group as a general acid, in addition to activating the 2’-OH nucleophile by the general base G14 in the catalytic mechanism of the enzyme.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
Review
Biochemistry & Molecular Biology
Yasuko Arao, Mika Nakayama, Yoshiko Tsuji, Yumiko Hamano, Chihiro Otsuka, Andrea Vecchione, Ken Ofusa, Hideshi Ishii
Summary: MicroRNAs (miRNAs) synthesized through a canonical pathway play important roles in human diseases. IsomiRs, variations in noncoding miRNAs, are generated through a non-canonical pathway. EpisomiRs, miRNAs with different modifications, are expanding the isomiR family. IsomiRs reflect cell-specific biological function and studying episomiRs and isomiRs can contribute to optimizing diagnosis and therapeutic technology for precision medicine.
Review
Immunology
Xing Zhang, Zi Liang, Chonglong Wang, Zeen Shen, Sufei Sun, Chengliang Gong, Xiaolong Hu
Summary: This review summarizes the biogenesis, functions, and future prospects of circular RNAs (circRNAs) derived from viruses and hosts. The study is important for understanding viral-encoded circRNAs during viral infections.
FRONTIERS IN IMMUNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Yuliia Lihanova, Christina E. Weinberg
Summary: The study identified a newly discovered pistol ribozyme with efficient self-cleaving properties and investigated the catalytic role of various metal ions. Additionally, the ligation activity of this ribozyme class was analyzed for the first time, revealing almost complete cleavage at equilibrium.
Article
Immunology
Daniela Raguer Valadao de Souza, Rodrigo Pessoa, Youko Nukui, Juliana Pereira, Rosa Nascimento Marcusso, Augusto Cesar Penalva de Oliveira, Jorge Casseb, Alberto Jose da Silva Duarte, Patricia Bianca Clissa, Sabri Saeed Sanabani
Summary: In this study, researchers used Illumina MPS technology to investigate the expression profile of global noncoding RNA in HAM/TSP patients. They found differential expression of certain short RNAs, including miRNAs, which have the potential to be used as biomarkers for predicting the pathogenesis of HAM/TSP.
Review
Biochemistry & Molecular Biology
Chu-Xiao Liu, Ling-Ling Chen
Summary: In this review, we discuss the methods used in circular RNA studies and the current understanding of their regulatory roles and potential applications. Circular RNAs can modulate transcription and splicing, regulate the stability and translation of mRNAs, interfere with signaling pathways, and play important roles in cellular processes and immune responses.
Article
Chemistry, Physical
Dan-Dan Li, Xing-Yue Leng, Xu-Fang Wang, Hong-Bo Yu, Wen-Qiang Zhang, Jian Chen, Ji-Qing Lu, Meng-Fei Luo
Summary: Pt-SO42-/ZrO2 catalysts with different SO42- contents were used for propane combustion. The addition of SO42- significantly improves the catalytic activity by promoting the synergy between Pt species and superacid sites for C-C bond activation. However, excessive SO42- reduces the exposed Pt sites.
JOURNAL OF CATALYSIS
(2022)
Review
Medicine, Research & Experimental
Xin Wang, Rui Ma, Weimin Shi, Zhouwei Wu, Yuling Shi
Summary: circRNAs, a class of non-coding RNAs with covalently closed single-stranded structures, have been found to play crucial roles in SLE. These molecules offer fresh insights into the pathogenesis of SLE and its potential clinical applications, although current studies have limitations and future research prospects need to be considered.
MOLECULAR THERAPY-NUCLEIC ACIDS
(2021)
Article
Medicine, Research & Experimental
Wenming Cui, Qin Dang, Chen Chen, Weitang Yuan, Zhenqiang Sun
Summary: circRNAs are a type of stable noncoding RNA found mainly in the cytoplasm, playing important biological functions, especially in the process of autophagy. They can regulate gene expression, bind to RBPs, encode proteins, regulate alternative splicing, and play crucial roles in various diseases.
MOLECULAR THERAPY-NUCLEIC ACIDS
(2021)
Article
Chemistry, Physical
Andrew J. Veenis, Pengfei Li, Alexander Soudackov, Sharon Hammes-Schiffer, Philip C. Bevilacqua
Summary: This study used molecular dynamics to calculate the pK(a) of the nucleophilic O2' in the hairpin ribozyme at 18.5+/-0.8, higher than the reference compound, and identified the importance of monovalent ions and the exocyclic amine in impacting the pK(a) of the O2'. The study suggests that the pK(a) of the O2' is elevated in the ground state and decreases during the reaction process due to positioning and metal ion interactions.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Biochemistry & Molecular Biology
Xiangyun Yan, Linjie Liu, Shuwen Yao, Yanjie Chen, Qinlei Yu, Chengyao Jiang, Wenjuan Chen, Xiaohui Chen, Shuping Han
Summary: This study investigates the potential therapeutic role of human milk-derived exosomes (HM-Exos) in a rat model of necrotizing enterocolitis (NEC) through comprehensive lncRNA and mRNA expression profiling. It is found that Pre-Exos exert a stronger effect on promoting the proliferation of intestinal epithelial cells in vivo compared to Term-Exos. Analysis reveals differentially expressed lncRNAs and mRNAs between Term-Exos and Pre-Exos, with the lncRNA-mRNA network of HM-Exos predicted to be involved in cellular proliferation pathways. This study sheds light on the important roles of human milk-derived lncRNAs and mRNAs in protecting against NEC and provides new insights into NEC development.
Review
Biochemistry & Molecular Biology
Satoshi Yamasaki, Munetoshi Nakashima, Hiroaki Ida
Summary: Understanding the pathophysiology of rheumatoid arthritis has led to the development of molecule-targeted drugs, but some patients are refractory to treatment, indicating incomplete understanding of the disease's mechanism. Genome and transcriptome analysis has revealed significant changes in coding and non-coding RNA expression in RA patients, with a focus on tRNA fragments. Studies have shown that tRNA fragments have antiapoptotic properties and their association with various diseases, including RA, is being explored.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Inorganic & Nuclear
Zdenek Chval, Olga Dvorackova, Daniela Chvalova, Jaroslav V. Burda
INORGANIC CHEMISTRY
(2019)
Article
Virology
Marie-Christine Maurel, Fabrice Leclerc, Jacques Vergne, Giuseppe Zaccai
Article
Physiology
Joanna Kotwica-Rolinska, Lenka Chodakova, Daniela Chvalova, Lucie Kristofova, Iva Fenclova, Jan Provaznik, Maly Bertolutti, Bulah Chia-Hsiang Wu, David Dolezel
FRONTIERS IN PHYSIOLOGY
(2019)
Review
Chemistry, Multidisciplinary
Marie-Christine Maurel, Fabrice Leclerc, Guy Herve
Article
Chemistry, Multidisciplinary
Olga Dvorackova, Zdenek Chval
Article
Biochemistry & Molecular Biology
Joanna Kotwica-Rolinska, Lucie Kristofova, Daniela Chvalova, Lucie Pauchova, Jan Provaznik, Marketa Hejnikova, Hana Sehadova, Martin Lichy, Hana Vaneckova, David Dolezel
INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY
(2020)
Article
Chemistry, Physical
Roy Gonzalez-Aleman, Nicolas Chevrollier, Manuel Simoes, Luis Montero-Cabrera, Fabrice Leclerc
Summary: Computational fragment-based approaches are widely used in drug design and discovery, with limitations in the performance of docking methods that need further optimization. The emergence of fragment-based approaches for single-stranded RNA ligands shows potential in docking and screening capabilities for modeling or designing sequence-selective oligonucleotides. Efficient MCSS sampling and hybrid solvent models improve docking and screening powers, while clustering of the n best-ranked poses contributes to a lesser extent to better performance.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Chemistry, Multidisciplinary
Olga Dvorackova, Zdenek Chval
Summary: The kinetics of the hydration reaction and the bonding properties of the trans-[Pt(NH3)(2)(NH2X)Cl](+) complexes were studied theoretically using DFT methodology. It was found that electron-donating and electron-withdrawing X substituents affect the activation free energy and Pt-trans ligand binding energies, with the impact related to the size and number of electrons of the substituents. The study also evaluated the influence of chelation, additivity of the substituent effects, and isomerization on the reactivity of the complexes.
Article
Biochemical Research Methods
Roy Gonzalez-Aleman, Daniel Platero-Rochart, David Hernandez-Castillo, Erix W. Hernandez-Rodriguez, Julio Caballero, Fabrice Leclerc, Luis Montero-Cabrera
Summary: This study introduces a methodological parallel between the Quality Threshold (QT) clustering and the Maximum Clique Problem in the field of Graph Theory. By using a binary-encoded RMSD matrix and bitwise operations to extract clusters, a highly efficient algorithm is achieved, providing results in good agreement with existing implementations in the literature while strictly preserving the collective similarity of clusters.
Article
Biology
Radek Netusil, Katerina Tomanova, Lenka Chodakova, Daniela Chvalova, David Dolezel, Thorsten Ritz, Martin Vacha
Summary: Sensitivity to magnetic fields in certain animal species is influenced by the intensity and color of light, with cryptochrome and its co-factor flavin potentially becoming magnetically susceptible upon excitation by light. Research on the firebug species Pyrrhocoris apterus, which only possesses mammalian cryptochrome II, has shown that Cry II is essential for the magnetoreception response, which continues even after extended periods in darkness. This light-dependent and dark-persisting magnetoreception based on Cry II could lead to new perspectives in magnetoreception and cryptochrome research.
JOURNAL OF EXPERIMENTAL BIOLOGY
(2021)
Article
Biochemical Research Methods
Daniel Platero-Rochart, Roy Gonzalez-Aleman, Erix W. Hernandez-Rodriguez, Fabrice Leclerc, Julio Caballero, Luis Montero-Cabrera
Summary: This study introduces a novel clustering algorithm, DP+, that reduces the memory consumption in MD simulations. It outperforms the existing alternatives in terms of efficiency. The study also presents RCDPeaks as an improved variant, with features such as automatic parameter selection, candidate center screening, and optimized clustering results.
Article
Biochemistry & Molecular Biology
Ania de la Nuez Veulens, Yoanna M. Alvarez Ginarte, Rolando E. Rodriguez Fernandez, Fabrice Leclerc, Luis A. Montero Cabrera
Summary: In this study, two computational approaches based on ligand and receptor were developed to investigate the physicochemical properties of vasopressin V2 receptor (V2R) antagonist and predict the binding mode to V2R. The obtained quantitative structure-activity relationship (QSAR) model showed a correlation between antagonist activity and hydration energy, polarizability, and partial charge on atom N7 of the common substructure. The V2R was modeled and relaxed on a POPC membrane, and the receptor antagonist complexes were predicted by molecular docking. The stability of the relevant structures was evaluated by molecular dynamics simulations. Amino acid residues were identified as potentially important for antagonist-receptor interactions. The proposed QSAR model could explain the molecular properties relevant to antagonist activity and was consistent with the binding mode of the complexes obtained by docking and dynamics.
JOURNAL OF MOLECULAR MODELING
(2022)
Article
Biochemistry & Molecular Biology
Joanna Kotwica-Rolinska, Lenka Chodakova, Vlastimil Smykal, Milena Damulewicz, Jan Provaznik, Bulah Chia-Hsiang Wu, Marketa Hejnikova, Daniela Chvalova, David Dolezel
Summary: Most organisms possess circadian clocks, but the composition and function of these clocks can vary significantly even between closely related species. In the case of the linden bug Pyrrhocoris apterus, the key clock gene timeless-d is dispensable, suggesting a unique adaptation in its circadian rhythm regulation system.
MOLECULAR BIOLOGY AND EVOLUTION
(2022)
Article
Biochemical Research Methods
Roy Gonzalez-Aleman, Daniel Platero-Rochart, Alejandro Rodriguez-Serradet, Erix W. Hernandez-Rodriguez, Julio Caballero, Fabrice Leclerc, Luis Montero-Cabrera
Summary: The paper introduces MDSCAN, a software inspired by HDBSCAN specifically designed for non-programmers to perform memory-efficient clustering of long MD trajectories based on RMSD. By improving the original version, MDSCAN is able to process large amounts of trajectory data in shorter time and with less memory consumption.