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Small-molecule inhibition of SARS-CoV-2 NSP14 RNA cap methyltransferase.
Nature
January 2025
Laboratory for RNA Molecular Biology, The Rockefeller University, New York, NY, USA.
Coronavirus disease 2019 (COVID-19) is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The rapid development of highly effective vaccines against SARS-CoV-2 has altered the trajectory of the pandemic, and antiviral therapeutics have further reduced the number of COVID-19 hospitalizations and deaths. Coronaviruses are enveloped, positive-sense, single-stranded RNA viruses that encode various structural and non-structural proteins, including those critical for viral RNA replication and evasion from innate immunity.
View Article and Find Full Text PDFComputational-driven discovery of AI-2 quorum sensing inhibitor targeting the 5'- methylthioadenosine/S-adenosylhomocysteine nucleosidase (MTAN) to combat drug-resistant Helicobacter pylori.
Comput Biol Med
January 2025
Central Research Laboratory, KS Hegde Medical Academy, Nitte (Deemed to be University), Mangalore, 575018, Karnataka, India; Center for Bioinformatics and Biostatistics, Nitte (Deemed to be University), Mangalore, 575018, Karnataka, India. Electronic address:
MTAN is an attainable therapeutic target for H. pylori because it may minimize virulence production, limit resistance, and impair quorum sensing without affecting gut flora. Here, 457 compounds with anti-H.
View Article and Find Full Text PDFThe Second Methylation in Psilocybin Biosynthesis Is Enabled by a Hydrogen Bonding Network Extending into the Secondary Sphere Surrounding the Methyltransferase Active Site.
Chembiochem
December 2024
Institute for General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 80-82, Innsbruck, 6020, Austria.
The Psilocybe cubensis SAM-dependent methyltransferase, PsiM, catalyzes the last step in the biosynthesis of psilocybin. Likely evolved from monomethylating RNA methyltransferases, PsiM acquired a key amino acid exchange in the secondary sphere of the active site, M247 N, which is responsible for its capacity to dimethylate. Two variants, PsiM and PsiM, were generated to further examine the role of Asn247 for mono- and dimethylation in PsiM.
View Article and Find Full Text PDFStructural insights into phosphatidylethanolamine -methyltransferase PmtA mediating bacterial phosphatidylcholine synthesis.
Sci Adv
October 2024
Department of Chemistry, Gwangju Institute of Science and Technology, Gwangju 61005, Republic of Korea.
Phosphatidylethanolamine -methyltransferase (PmtA) catalyzes the biosynthesis of phosphatidylcholine (PC) from phosphatidylethanolamine (PE). Although PC is one of the major phospholipids constituting bilayer membranes in eukaryotes, certain bacterial species encode PmtA, a membrane-associated methyltransferase, to produce PC, which is correlated with cellular stress responses, adaptability to environmental changes, and symbiosis or virulence with eukaryotic hosts. Depending on the organism, multiple PmtAs may be required for producing monomethyl- and dimethyl-PE derivatives along with PC, whereas in organisms such as , a single enzyme is sufficient to direct all three methylation steps.
View Article and Find Full Text PDFSLAM: Structure-aware lysine β-hydroxybutyrylation prediction with protein language model.
Int J Biol Macromol
September 2024
Collaborative Innovation Center of Henan Grain Crops, Henan Key Laboratory of Rice Molecular Breeding and High Efficiency Production, College of Agronomy, Henan Agricultural University, Zhengzhou 450046, China. Electronic address:
Post-translational modifications (PTMs) diversify protein functions by adding/removing chemical groups to certain amino acid. As a newly-reported PTM, lysine β-hydroxybutyrylation (Kbhb) presents a new avenue to functional proteomics. Therefore, accurate and efficient prediction of Kbhb sites is imperative.
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