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Correction of aberrant splicing of ELP1 pre-mRNA by kinetin derivatives - A structure activity relationship study.
Eur J Med Chem
December 2024
Laboratory of Experimental Biology, Faculty of Science, Palacký University, Šlechtitelů 27, CZ-78371 Olomouc, Czech Republic; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacký University, Hněvotínská 3, 775 15 Olomouc, Czech Republic. Electronic address:
Familial dysautonomia is a debilitating congenital neurodegenerative disorder with no causative therapy. It is caused by a homozygous mutation in ELP1 gene, resulting in the production of the transcript lacking exon 20. The compounds studied as potential treatments include the clinical candidate kinetin, a plant hormone from the cytokinin family.
View Article and Find Full Text PDFApigenin analogs as α-glucosidase inhibitors: Molecular docking, biochemical, enzyme kinetic, and an in vivo mouse model study.
Bioorg Chem
December 2024
Department of Gastroenterology, Zhongnan Hospital of Wuhan University, Wuhan 430071, China; Hubei Provincial Clinical Research Center for Intestinal and Colorectal Diseases, Hubei Key Laboratory of Intestinal and Colorectal Diseases, Wuhan 430071, China. Electronic address:
Due to the high incidence of diabetes and its associated complications, diabetes is widely recognized as a serious global health problem. In diabetes treatment strategies, targeting α-glucosidase, a key carbohydratehydrolyzing enzyme, has emerged as a highly regarded approach. To develop novel α-glucosidase inhibitors, we successfully synthesized a series of apigenin analogs, collectively referred to as H1-H27 compounds and examined their inhibitory effects on α-glucosidase activity.
View Article and Find Full Text PDFSynergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic Amines.
J Chem Inf Model
November 2024
Departamento de Investigación y Desarrollo, ConsultoresAcademicos SpA, Santiago 1137, Santiago 8340457, Chile.
This study synergizes machine learning (ML) with conceptual density functional theory (CDFT) to develop OECD-compliant predictive models for the mutagenic activity of aromatic amines (AAs) with a fully No-Code methodology using a comprehensive data set of 251 AAs, Leave-One-Out-Cross-Validation (LOOCV), and three distinct data splits. Our research employs the GFN2-xTB method, known for its robustness and speed, to compute descriptors for procarcinogens and their activated metabolites in vacuum and aqueous phases. We evaluate the effectiveness of different theoretical definitions of electrophilicity within CDFT, namely, PSL, GCV, and CDP schemes, and the newly introduced Log QP descriptor to approximate Log P information.
View Article and Find Full Text PDFStructure-function analysis of tRNA tA-catalysis, assembly, and thermostability of Aquifex aeolicus TsaDB tetramer in complex with TsaE.
J Biol Chem
December 2024
School of Life Sciences, Key Laboratory of Cell Activities and Stress Adaptation of the Ministry of Education, Lanzhou University, Lanzhou, China. Electronic address:
Article Synopsis
- The modification of tRNA at position 37 (tA) is crucial for ensuring accurate protein synthesis and is produced through the actions of specific enzymes (TsaC, TsaD, TsaB, and TsaE) using L-threonine and ATP in bacteria.
- This study reconstituted the biosynthesis of tA from the bacterium Aquifex aeolicus and examined the structural characteristics of the TsaDB enzyme complex, finding that it can bind both TsaE and tRNA, with the binding being influenced by specific protein sequences.
- The research showed that TsaE enhances the catalytic action of TsaDB, leading to the release of tRNA
Development and preclinical evaluation of a cyclic PET tracer targeting integrin-α6 on colorectal cancer models.
Bioorg Chem
December 2024
Department of Nuclear Medicine, Affiliated Hospital of Jiangnan University, Wuxi 214062, PR China. Electronic address:
Integrin-α6 is an attractive diagnostic and therapeutic biomarker in cancer, because it is highly expressed in several types of malignancies. Based on our previous findings, we designed a cyclic peptide, NOTA-A6P, to enhancing affinity, tumor uptake and serum stability, and then developed a cyclic radiotracer, [F]AlF-NOTA-A6P, for the specific detection of early colorectal cancer by PET/CT imaging. [F] AlF-NOTA-A6P was automatically labeled for colorectal cancer imaging in a novel synthesis module.
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