Browsing by Author "Kumari, Neetu"

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    Procaine and salicylate‑based ionic liquid: synthesis, in silico, in vitro, biophysical and biological studies
    (2025) Kumari, Neetu
    Herein, we explored the synergistic effect of ionic liquids as anticancer and antibacterial agents to avoid available combination therapies. We synthesized an API-based ionic liquid (IL) designated as [Pro-pip]SAL to meet our objec tives. This compound features a cationic moiety derived from procaine and 1,3-benzodioxole, tagged with a salicylate salt as the anionic counterpart. Molecular docking studies showed that interaction is polar involving H-bonding and van der Waal forces. Spectroscopic studies were carried out to validate the results of computational studies for the binding interaction mechanism of [Pro-pip]SAL IL with bovine serum albumin (BSA). The UV–visible spectra showed an increase in absorbance intensity with bathochromic shift, and fluorescence spectra showed static quenching with bathochromic shift revealing that polar interaction played an important role in the interaction between Pro-pip]SAL IL with BSA. CD spectra showed no significant change in the secondary structure of BSA. The antibacterial study revealed that IL showed significant activity against Staphylococcus aureus (gram-positive) bacteria and no effect was observed on E. coli (gram-negative) bacteria. Cytotoxicity study on Vero cell line (non-cancerous cell line; kidney epithelium cells of African green monkey) showed IC50 values 207.95 ± 1.25 μM. Cytotoxicity analysis of [Pro-pip] SAL IL on A549 cell lines revealed antiproliferative properties with an IC50 value of 54.55 ± 0.22 μM. This study interpreted that Pro-pip]SAL IL could be used as an anticancer and antibacterial drug, warranting further exploration and development in these therapeutic areas.
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    Synergistic in-vitro inhibition of lung cancer cells using L-carnosine-capped copper nanoclusters
    (2025) Kumari, Neetu
    Traditional cancer treatments are often associated with high toxicity and significant side effects, limiting the safe dosage range for patients. To address these challenges, there is a critical need for specific medications with reduced toxicity and enhanced efficacy. This study combined the unique anticancer properties of L-carnosine, a dipeptide, and copper to synthesize L-carnosine-capped copper nanoclusters (Cu4L5). The nanoclusters were characterized using UV–vis spectroscopy, fluorescence spectroscopy, FT-IR spectroscopy, HR-TEM, HR-MS, and EDX mapping. The synthesized Cu4L5 exhibited synergistic anticancer effects against A549 lung cancer cells, as evidenced by MTT assay results showing significantly higher cytotoxicity toward cancer cells while demon strating minimal toxicity to normal Vero-2 cells, as indicated by IC50 values. Their anticancer properties were compared to those of L-carnosine alone and copper nanoclusters stabilized with L-histidine. Cu4L5 exhibited approximately twofold greater anticancer activity, confirming the enhanced efficacy of the L-carnosine-CuNCs combination. Additionally, CuNCs enable the detection of GSH in solution within the nanomolar concentration range using the Stern-Volmer equation. Computational studies of nanoclusters further revealed that copper atoms bind with ligands through its N of imidazole ring and C––O group, leaving carboxylate and NH2 sites available for interacting with cancer cells. This dual functionality of Cu4L5, combining therapeutic and diagnostic capabilities, highlights its potential as a promising candidate for targeted cancer treatment with minimal off-target effects.