In Silico Screening and Molecular Dynamics Validation of Bryophyllum Pinnatum Flavonoids as Pi3kγ Inhibitors For Rheumatoid Arthritis
This study utilizes a comprehensive in silico workflow, including molecular docking, ADMET profiling, MM-GBSA calculations, and 100 ns molecular dynamics simulations, to identify luteolin, quercetin, and kaempferol from *Bryophyllum pinnatum* as potent and stable PI3Kγ inhibitors with promising therapeutic potential for treating rheumatoid arthritis.