Key result
Network pharmacology and molecular docking revealed that six single-herbal medicines share 11 natural components and target key viral myocarditis-associated genes including SLC6A2, SLC6A4, and NOS2.
Why the study?
Investigation of molecular responses of different herbal strategies against viral myocarditis was needed to facilitate targeted drug development given the lack of effective treatment.
This network pharmacology study identifies shared and unique molecular targets of six traditional Chinese herbal medicines in the context of viral myocarditis, providing a basis for future drug development.
Answers are grounded in this paper and cite their sources.
Network pharmacology identifies herbal targets in viral myocarditis; leaves open clinical translation pending validation.
Purpose. Herbal medicine is one of crucial symbols of Chinese national medicine. Investigation on molecular responses of different herbal strategies against viral myocarditis is immeasurably conducive to targeting drug development in the current international absence of miracle treatment. Methods. Literature retrieval platforms were applied in the collection of existing empirical evidences for viral myocarditis-related single-herbal strategies. SwissTargetPrediction, Metascape, and Discovery Studio coordinating with multidatabases investigated underlying target genes, interactive proteins, and docking molecules in turn. Results. Six single-herbal medicines consisting of Huangqi (Hedysarum Multijugum Maxim), Yuganzi (Phyllanthi Fructus), Kushen (Sophorae Flavescentis Radix), Jianghuang (Curcumaelongae Rhizoma), Chaihu (Radix Bupleuri), and Jixueteng (Spatholobus Suberectus Dunn) meet the requirement. There were 11 overlapped and 73 unique natural components detected in these herbs. SLC6A2, SLC6A4, NOS2, PPARA, PPARG, ACHE, CYP2C19, CYP51A1, and CHRM2 were equally targeted by six herbs and identified as viral myocarditis-associated symbols. MCODE algorithm exposed the hub role of SRC and EGFR in strategies without Jianghuang. Subsequently, we learned intermolecular interactions of herbal components and their targeting heart-tissue-specific CHRM2, FABP3, TNNC1, TNNI3, TNNT2, and SCN5A and cardiac-myocytes-specific IL6, MMP1, and PLAT coupled with viral myocarditis. Ten interactive characteristics such as π-alkyl and van der Waals were modeled in which ARG111, LYS253, ILE114, and VAL11 on cardiac troponin (TNNC1-TNNI3-TNNT2) and ARG208, ASN106, and ALA258 on MMP1 fulfilled potential communicating anchor with ellagic acid, 5α, 9α-dihydroxymatrine, and leachianone g via hydrogen bond and hydrophobic interaction, respectively. Conclusions. The comprehensive outcomes uncover differences and linkages between six herbs against viral myocarditis through component and target analysis, fostering development of drugs.
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Cao et al. (2021) studied Viral myocarditis. Six single-herbal medicines (Huangqi, Yuganzi, Kushen, Jianghuang, Chaihu, and Jixueteng) was evaluated on Target genes, interactive proteins, and docking molecules. Network pharmacology and molecular docking revealed that six single-herbal medicines share 11 natural components and target key viral myocarditis-associated genes including SLC6A2, SLC6A4, and NOS2.
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