Identification of novel NLRP3 inhibitors: a comprehensive approach using 2D-QSAR, molecular docking, molecular dynamics simulation and drug-likeness evaluation

This research, employing computational methodologies, aimed to discover potential inhibitors for the nucleotide-binding oligomerization domain-like receptor protein 3 (NLRP3), an intracellular sensor pivotal in inflammation and various disease processes. Despite NLRP3's critical role, there rem...

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