Our molecular docking results showed that Aloin A had good binding interactions with HSP90AA1, AKT1, CTNNB1, BCL2L1, RELA, TNF, AKT3, the ranging from −7.9 to −8.9 kcal/mol, suggesting that Aloin A stably combined with these proteins for attenuating cancer related muscle atrophy. The gene discussed is HSP90AA1; the disease is muscle atrophy.