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    Click chemistry assisted synthesis of imidazo[1,2-a]pyrimidine-1,2,3-triazole hybrids as promising antitubercular agents: Design, characterization, in-vitro biological evaluation, molecular docking, DFT and in-silico ADME studies
    (Elsevier B.V., 2025) P, D.; Naik, S.; Veeranagaiah, N.S.; Udayakumar, U.
    In this work, the molecular hybridization approach was employed to design a series of imidazo[1,2-a]pyrimidine -1,2,3-triazole derivatives (P1-P18), and the designed hybrid molecules were synthesized using a click chemistry protocol. The structure of one of the final compounds P10, was validated by single-crystal X-ray diffraction investigation. Among these 18 compounds, P3, P13, and P15 demonstrated encouraging antitubercular action against the M. tuberculosis H37Rv strain with minimum inhibitory concentrations (MIC) of 12.05 and 11.95 µM of (P3 and P13) or 6.75 µM (P15). In addition, at various concentrations, the target compounds demonstrated strong antifungal activity against P. anomala and A. flavus and antibacterial activity against S. aureus and Escherichia coli. The potent anti-TB agents (P3, P13, and P15) are non-toxic in the toxicity test performed using VERO cell lines. Furthermore, In-silico ADME, molecular docking (with InhA and CYP121), and DFT analysis data revealed that the active compounds have substantial potential as candidates for the development of novel antitubercular medicines. © 2025 Elsevier B.V.
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    l-Arginine-Functionalized Mild Etchant-Derived Nb2CTtoggle="yes">xMXene for Electrochemical Dual Nucleotide Sensing
    (American Chemical Society, 2025) Ankitha, M.; Anas, M.; Naik, S.; Udayakumar, U.; Rasheed, P.A.
    5?-Ribonucleotides, such as guanosine 5?-monophosphate (GMP) and adenosine 5?-monophosphate (AMP), are major contributors to the umami flavor of meat, serve as freshness indicators, and are central to physiological processes, including energy metabolism, immune modulation, and cardiovascular regulation. Conventional chromatographic methods (HPLC–MS/MS and LC–MS) provide accurate measurements but are constrained by high cost, complex workflows, and poor portability, limiting their use in rapid food quality assessment. This work aims to develop a sensitive, portable, and low-cost electrochemical platform for simultaneous GMP and AMP detection. For the first time, Nb2CTxMXene was synthesized via rapid, HF-free scalable production by using a molten salt etching with NH4HF2at 130 °C. MXene was then functionalized with poly-l-arginine (pARG) by electropolymerization, which generated a cationic, hydrogen-bonding network to overcome charge repulsion with nucleotides and promote efficient electron transfer. The density functional theory (DFT) adsorption energy calculations confirmed pARG as the optimal functional monomer, showing stronger binding to GMP/AMP compared to other monomers. The resulting pARG/Nb2CTx-modified screen-printed carbon electrode (SPCE) represents the first ever reported electrochemical sensor capable of simultaneously detecting GMP and AMP. The developed sensor exhibited linear ranges of 100–1000 nM with detection limits of 84.5 nM (for GMP) and 43.3 nM (for AMP), alongside excellent reproducibility, stability, and reliable operation in real meat tissue samples. This study establishes the first molten salt synthesis method of Nb2CTxand the first dual-sensing platform for GMP/AMP. In addition, the HF-free, low-temperature synthesis route, together with a cost-effective sensing design, underscores the sustainability of this approach, offering a scalable, selective, and eco-friendly strategy for food freshness monitoring and nucleotide biomarker analysis. © 2025 American Chemical Society