Supporting Information for: Integrated In Silico Discovery of Thymoquinone Analogs Targeting the Keap1--Nrf2 Pathway for Amyotrophic Lateral Sclerosis Therapy

Name: Supporting Information for: Integrated In Silico Discovery of Thymoquinone Analogs Targeting the Keap1--Nrf2 Pathway for Amyotrophic Lateral Sclerosis Therapy
Creator: Zenodo
Published: 2026-02-04T14:45:43+08:00

Zenodo2026-02-04 更新2026-05-29 收录

药物分子设计

神经退行性疾病治疗

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Supporting Information for: Integrated In Silico Discovery of Thymoquinone Analogs Targeting the Keap1--Nrf2 Pathway for Amyotrophic Lateral Sclerosis Therapy Authors: Jabir C. Nalicho*, Petro E. Mabeyo, Andrew S. Paluch, and Lucas Paul** Contact information: * jabir.chande@gmail.com** lucas.paul@udsm.ac.tz Journal: ChemistryOpen Date: 4 February 2026 Description: CSV file (Table_S1_Thymoquinone_Analogues_Predicted_Activities.csv) with predicted pIC50 values, activity classes, leverage values, and applicability domain (AD) status for 64 thymoquinone analogues generated using the validated AtomPairs2DCount QSAR model.

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2026-02-04