Article title: Repurposing FDA-approved drugs as NLRP3 inhibitors against inflammatory diseases: machine learning and molecular simulation approaches
Authors: Vipul Agarwal, Rajesh Haldhar, Abdurahman Hajinur Hirad, Bilal Ahmed, Sang Beom Han, Anugya Gupta, Vinit Raj and Sangkil Lee
Journal: Journal of Biomolecular Structure and Dynamics
DOI: https://doi.org/10.1080/07391102.2024.2308072
During the final typesetting of this article, the typesetter inadvertently failed to process the correction. This has now been updated and the original article has been republished.
In addition, the grant number under the funding section has been updated as well.
The correct is placed below as well.
Figure 6. RMSD, Protein RMSF, protein interaction and protein-ligand contacts of top docked ADMET favorable FDA-approved compounds (A-B) RMSD (C-D) Protein RMSF, (E-F) protein interaction and (G-H) protein-ligand contacts plots of Empagliflozin and Citicoline over simulations run for 100ns complexed with NLRP3.
![Figure 6. RMSD, Protein RMSF, protein interaction and protein-ligand contacts of top docked ADMET favorable FDA-approved compounds (A-B) RMSD (C-D) Protein RMSF, (E-F) protein interaction and (G-H) protein-ligand contacts plots of Empagliflozin and Citicoline over simulations run for 100ns complexed with NLRP3.](/cms/asset/8862e60d-55d7-4407-a0f7-fe0a4ea9b491/tbsd_a_2330802_f0001_c.jpg)