Al-Mustaqbal Journal of Pharmaceutical and Medical Sciences
Computational Design, Molecular Docking, SAR, and ADMET Analysis of Novel JAK1 Inhibitors as a Possible Treatment for Rheumatoid Arthritis
Rheumatoid arthritis is an inflammatory autoimmune disease affecting the joints which eventually leads to systemic comorbidities. Its pathogenesis was attributed to disturbances in the Janus Kinase/Signal Transducer and Activator of Transcription signaling pathway. In this research, an innovative lead compound C6 was created and docked toward Janus Kinase1 (JAK1). The docking process was confirmed by re-docking of the co-crystallized ligand MI1 (Tofacitinib). C6 showed a predicted docking score of -9.17 kcal/mol, w …