IN-SILICO MOLECULAR MODELLING, MM/GBSA BINDING FREE ENERGY AND MOLECULAR DYNAMICS SIMULATION STUDY OF NOVEL PYRIDO FUSED IMIDAZO[4,5-C]QUINOLINES AS POTENTIAL ANTI-TUMOR AGENTS

In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents

With an alarming increase in the number of cancer patients and a variety of tumors, it is high time for intensive investigation on more efficient and potent anti-tumor agents.Though numerous agents have enriched the literature, still there exist challenges, with the availability of different targets and possible cross-reactivity.Herein we have chos

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Inducing ubiquitination and degradation of TrxR1 protein by LW-216 promotes apoptosis in non-small cell lung cancer via triggering ROS production

Cooktop Thioredoxin reductases are frequently overexpressed in various solid tumors as a protective mechanism against heightened oxidative stress.Inhibitors of this system, such as Auranofin, are effective in eradicating cancer cells.However, the clinical significance of thioredoxin reductase 1 (TrxR1) in lung cancer, as well as the potential for i

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