Meibomian gland dysfunction (MGD) is an epidemic chronic ocular inflammation. However, little is known about its effective treatment. Here, this study identified important MGD‐related genes, core regulators, and potential drugs and their targets though integrating a series of bioinformational analyses. First, there were 665 differentially expression genes (DEGs) were identified. Then, 56 coexpression modules were exacted based on the expression of DEGs and their interactors. Moreover, core transcription factors (TF) significantly regulated modules were identified, including RELA, HIF1A, SIRT1, and MYC, which related to variety of eye diseases. Finally, the prediction of potential drugs and the identification of their target were performed. The results showed that artenimol, copper, and glutathione may have the remarkable curative effect or the toxicology to MGD. Moreover, their targets module gene LDHA (lactate dehydrogenase A), ENO1 (enolase 1), ALB (albumin), and PKM (pyruvate kinase M) are play important role in eye diseases. It suggests that these potential drugs may be useful for the treatment of MGD by acting on their targets. It provides valuable references for drug redirection and new drug development for drug developers, and provides individualized treatment strategies for tarsal gland dysfunction.