Abstract
Background/Objectives: Musk is a widely used traditional Chinese medicine derived from musk deer that has the pharmacological effects of "activating blood dredging collateral" and "consciousness-restoring resuscitation". Its volatile compounds (VCs) play a key role in these effects, especially in the treatment of stroke. However, there have been no comprehensive studies on the differences in the VCs of these different musks. This study investigated the differences in the VCs of different musks and the potential targets and mechanisms of action for stroke. Methods: Different musks were studied via GC-MS, and the potential targets and mechanisms of VCs associated with stroke were investigated using network pharmacology. Results: A total of 99 VCs were detected in 79 musk samples. The most important VCs of different colours and forms were muscone, phenol, acetic acid, and isovaleric acid. Further study revealed that the change in organic acids and ketones was the cause of the significant difference between white musk and other types of musk. In addition, network pharmacological analyses identified 180 potential targets of the major volatile compounds of musk associated with stroke, and five key targets (SRC, EGFR, ESR1, PTGS2, and DRD2). Enrichment analysis showed that these key targets play an important role in neural related pathways. The molecular docking results confirmed that the key targets can effectively bind with the main VCs (muscone and phenol). Conclusions: These findings provide valuable insights into the distinct volatile compositions of various types of musk and underscore the significant potential of volatile compounds (VCs) in stroke treatment.