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Subject: search.filters.subject.In silico

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    Synthesis and in silico Analysis of 4,5-dihydro-1H-pyrazole derivative
    (Tashkent Institute of Chemical Technology, 2026) Mohd Akil, Iqbal Azad, Abdul Rahman Khan, Naseem Ahmad
    The present work reports the synthesis of novel chalcone‐derived compounds obtained via simple condensation of chalcone derivatives with phenyl hydrazine. Their design, preparation, and biological assessment are described in detail. Structural elucidation was confirmed by FTIR, 1H NMR, 13C NMR, and HRMS analyses. In‐silico ADMET profiling, carried out using AdmetLab 3.0 and SwissADME, indicated favorable pharmacokinetic and toxicity parameters, closely resembling those of reference agents Amphotericin B and Ciprofloxacin. These findings underscore the promise of chalcone scaffolds as versatile templates for antibacterial drug development.
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    Bioinformatics Approaches in Noncoding RNAs Research
    (Springer, Cham, 2026) Fariya Khan, Ajay Kumar, Salman Akhtar
    In recent years, noncoding RNAs have sparked significant interest in understanding the diverse roles of ncRNAs in cellular regulation and disease processes. Noncoding RNAs (ncRNAs), encompassing small noncoding RNAs (sncRNAs) and long noncoding RNAs (lncRNAs), are critical regulators of gene expression, epigenetic modifications, and various cellular processes within the human genome. The diverse nature ncRNAs, along with certain complex features, has made them difficult to study through traditional experimental methods. As a result, bioinformatics tools have expanded the possibilities for offering new insights through advanced computational strategies. This chapter explores the recent advancements in ncRNA databases, emphasizing their importance and the innovative in silico strategies that enable the prediction and analysis of biological interactions, particularly for miRNAs and lncRNAs. It offers an in-depth overview of the structural properties, classification, and functions of various types of noncoding RNAs, highlighting their crucial roles in cellular processes. Additionally, the chapter discusses the significant therapeutic potential of ncRNAs, focusing on their applications in treating cancer and other severe diseases. These insights are pivotal in advancing the development of targeted therapies and precision medicine.