Abstract
Based on network pharmacological analysis and molecular docking techniques, the main components of M. cordata for the treatment of bovine relevant active compounds in M. cordata were searched for through previous research bases and literature databases, and then screened to identify candidate compounds based on physicochemical properties, pharmacokinetic parameters, bioavailability, and drug-like criteria. Target genes associated with hoof disease were obtained from the GeneCards database. Compound−target, compound−target−pathway−disease visualization networks, and protein−protein interaction (PPI) networks were constructed by Cytoscape. Gene ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed in R language. Molecular docking analysis was done using AutoDockTools. The visual network analysis showed that four active compounds, sanguinarine, chelerythrine, allocryptopine and protopine, were associated with the 10 target genes/proteins (SRC, MAPK3, MTOR, ESR1, PIK3CA, BCL2L1, JAK2, GSK3B, MAPK1, and AR) obtained from the screen. The enrichment analysis indicated that the cAMP, PI3K-Akt, and ErbB signaling pathways may be key signaling pathways in network pharmacology. The molecular docking results showed that sanguinarine, chelerythrine, allocryptopine, and protopine bound well to MAPK3 and JAK2. A comprehensive bioinformatics-based network topology strategy and molecular docking study has elucidated the multi-component synergistic mechanism of action of M. cordata in the treatment of bovine hoof disease, offering the possibility of developing M. cordata as a new source of drugs for hoof disease treatment.
Highlights
Hoof disease is a common surgical disease in equine animals and cattle, with a higher incidence in dairy cattle [1]
Cordata were constructed through the following steps: (1) data collection and collation, including identification of the chemical composition of M. cordata, screening of candidate compounds, identification of hoof disease-related disease targets, and intersection of the predicted targets of candidate compounds with the disease targets; (2) network topology analysis and protein interaction network construction; (3) enrichment analysis; and
Four candidate compounds were screened based on the alkaloid content in M. cordata and an extensive pre-laboratory base [29,30], namely Sanguinarine (SAN), Chelerythrine (CHE), Allocryptopine (ALL), and Protopine (PRO) (Figure 1)
Summary
Hoof disease is a common surgical disease in equine animals and cattle, with a higher incidence in dairy cattle [1]. Cattle and horses, as the main livestock workforce, often suffered from hoof disease due to changes in the normal structure of the hoof, caused by heavy weight bearing and overwork [2,3]. Hoof disease is influenced by a number of factors, including genetics, physiological abnormalities, shed hygiene, feeding management, mechanical injuries, and infections by pathogenic bacteria, as well as feed ratios and metabolic diseases in cows [4]. Hoof disease is often accompanied by increased hoof temperature, pain, and subsequent lameness, and cows can suffer from secondary mastitis resulting in reduced milk production, which seriously affects animal welfare and the economic development of the livestock industry. Hoof disease is mainly treated with non-steroidal anti-inflammatory drugs combined with antibiotics, but due to the high incidence of hoof disease and the long-term use of these drugs, they may produce a variety of side effects and resistance, and lead to a reduction in the effectiveness of treatment [5,6]
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