By repurposing Flavoxate, this work proposes a clinically translatable strategy to mitigate NLRP3-mediated neuroinflammation in AD, offering a potential disease modifying therapy with an established safety profile and underscores the significance of computational approaches in bridging the gap between preclinical discovery and therapeutic application for neurodegenerative diseases.
Bitter taste receptors, particularly TAS2R14, are widely expressed in extraoral tissues, including the central nervous system, where they have been implicated in neuroinflammatory and neurodegenerative processes. Although numerous pharmacological and natural compounds have demonstrated therapeutic potential against neu...
Findings suggest that LMEETYEFL and LDYETYEFL are promising candidates for disrupting the Keap1/Nrf2 interaction and experimental validation is necessary to confirm their therapeutic potential and facilitate further biological evaluation.
Nandhini Senthilkumar, Shanthi Veerappapillai· Frontiers in Bioinformatics· 0 citations
Findings provide mechanistic insights into the potential effects of JAK inhibitors in AD and identify pacritinib as a computationally prioritized candidate that warrants experimental validation in appropriate AD models.
L. T. Nguyen, Mai Thi Nguyen, T. Nguyen· Medicina· 0 citations
Computational findings suggest that ligand 4 represents a promising alkynyl-3-carboxamide-based lead scaffold for further development as a potential legumain-targeted therapeutic candidate for AD.
Afifa Noor, H. N. Suha, Istiak Hossain et al.· Physical Chemistry, Chemical...· 0 citations
This study identifies structurally tractable TQ analogs with improved predicted potency and establishes a robust computational framework for neuroprotective discovery as redox‐modulating agents in ALS.
Jabir C Nalicho, P. Mabeyo, Andrew S. Paluch et al.· ChemistryOpen· 0 citations
Brazilian biodiversity was explored as a source of natural alkaloids with potential inhibitory activity against NLRP3 and NuBBE_452 and NuBBE_453 emerged as the most promising candidates, exhibiting high binding affinity, strong conformational stability supported by PCA and FEL analyses, and a more favorable predicted...
Nalberth B. Farias, J. D. da Rocha, R. D. de Barros et al.· Journal of the Brazilian Che...· 0 citations
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