Discovery of Natural Alkaloid Inhibitors of NLRP3 Inflammasome: A Computational Approach Leveraging Brazilian Biodiversity
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...