Highlights

• HTS discovers nutraceutical compounds MPTC and PEITC that restore function in AATD

• MPTC and PEITC regulate cellular redoxstasis to restore function in AATD through PDIA4

• GP-SCV machine learning captures residue-by-residue responses of AAT to MPTC/PEITC

• GP-SCV provides an atomic-resolution description of nutraceutical regulation in AATD

Title

Spatial covariance reveals isothiocyanate natural products adjust redox stress to restore function in alpha-1-antitrypsin deficiency

Authors

Shuhong Sun, Chao Wang, Junyan Hu, Pei Zhao, Xi Wang, William E. Balch

Journal Information

Cell Reports Medicine (2025)

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