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Trimetazidine (TMZ) and coenzyme Q10 (CoQ10) have shown potential cardioprotective effects. Thus, they may represent adjunctive therapeutic candidates for antipsychotic\u2010induced myocarditis. However, the underlying molecular mechanisms and therapeutic relevance of this remain unclear. This study aimed to identify the potential pharmacological mechanisms and therapeutic targets of TMZ and CoQ10 in antipsychotic\u2010induced myocarditis.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>Drug\u2010 and disease\u2010associated targets were retrieved or predicted using SwissTargetPrediction, SEA, PharmMapper, Super\u2010PRED, and GeneCards. Overlapping drug\u2010disease targets were identified and used to construct a protein\u2013protein interaction network and determine the core targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were then performed using DAVID. Finally, molecular docking and molecular dynamics simulations were conducted to evaluate ligand\u2010target interactions and the stability of the selected complexes.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>Twenty\u2010six overlapping TMZ\u2010disease targets and 27 overlapping CoQ10\u2010disease targets were identified. GO and KEGG enrichment analyses revealed that these targets were involved in multiple biological processes, cellular components, molecular functions, and signaling pathways. Thirty\u2010nine unique drug\u2010disease intersection targets were obtained after merging the TMZ\u2010disease and CoQ10\u2010disease targets and five core targets were identified: STAT3, NFKB1, HIF1A, CASP3, and MMP9. Further GO and KEGG enrichment analyses were conducted for the 39 drug\u2010disease intersection targets. GO enrichment analysis indicated that the apoptotic process was greatly enriched, whereas KEGG analysis highlighted the PI3K\/AKT signaling pathway. Molecular docking suggested that TMZ and CoQ10 could form stable interactions with the core targets, supporting their potential therapeutic relevance. The molecular dynamics simulations further supported the stability of the selected ligand\u2010target complexes.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusions<\/jats:title>\n                    <jats:p>Network pharmacology, molecular docking, and molecular dynamics simulations were used to investigate the potential pharmacological mechanisms underlying the effects of TMZ and CoQ10 in antipsychotic\u2010induced myocarditis. The findings provide theoretical and computational evidence for future experimental studies on TMZ and CoQ10 as potential adjunctive therapeutic candidates for antipsychotic\u2010induced myocarditis.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/cns.71009","type":"journal-article","created":{"date-parts":[[2026,7,6]],"date-time":"2026-07-06T09:22:36Z","timestamp":1783329756000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Potential Mechanisms of Trimetazidine and Coenzyme\n                    <scp>Q10<\/scp>\n                    Against Antipsychotic\u2010Induced Myocarditis: A Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation Study"],"prefix":"10.1002","volume":"32","author":[{"given":"Ximing","family":"Chen","sequence":"first","affiliation":[{"name":"Laboratory of Computational Biology and Computational Psychiatry (CBCP\u2010Lab), Tianjin Anding Hospital Tianjin Mental 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