Network Pharmacology and Molecular Docking-Based Investigation of Potential Targets of Astragalus membranaceus and Angelica sinensis Compound Acting on Spinal Cord Injury

Abstract

Background Astragalus membranaceus (Huang-qi, AM) and Angelica sinensis (Dang-gui, AS) are common Chinese herbal medicines and have historically been used in spinal cord injury (SCI) therapies. However, the underlying molecular mechanisms of AM&AS remain little understood. The purpose of this research was to explore the bioactive components and the mechanisms of AM&AS in treating SCI according to network pharmacology and the molecular docking approach. Methods AM&AS active ingredients were first searched from Traditional Chinese Medicine Systems Pharmacology (TCMSP) and Traditional Chinese Medicine Information Database (TCM-ID). Meanwhile, we collected relevant target genes of SCI through the GeneCards database, OMIM database, PharmGkb database, DurgBank database, and TDD database. By utilizing the STRING database, we constructed a network of protein-protein interactions (PPIs). In addition, we used R and STRING to perform GO and KEGG function enrichment analyses. Subsequently, AutoDock Vina was employed for a molecular docking study on the most active ingredients and most targeted molecules to validate the results of the network pharmacology analysis mentioned above. Result The overall number of AM&AS active compounds identified was 22, while the number of SCI-related targets identified was 159. Then, the 4 key active ingredients were MOL000098 quercetin, MOL000422 kaempferol, MOL000354 isorhamnetin, and MOL000392 formononetin. A total of fourteen core targets were TP53, ESR1, MAPK1, MTC, HIF1A, HSP90AA1, FOS, MAPK14, STAT1, AKT1, EGFR, RELA, CCND1, and RB1. The KEGG enrichment analysis results indicated that lipid and atherosclerosis, PI3K-Akt signaling pathway, human cytomegalovirus infection, fluid shear stress, and atherosclerosis, etc., were enhanced with SCI development. Based on the analyses of docked molecules, four main active compounds had high affinity for the key targets. Conclusions Altogether, it identified the mechanisms by which AM&AS was used for SCI treatment, namely, active ingredients, targets and signaling pathways. Consequently, further research into AM&AS treating SCI can be conducted on this scientific basis.

Effects of Moleac 901 after severe spinal cord injury on chronic phase in Wistar rats

“… Rhizoma chuanxiong (RC) [ 39 , 42 ] Alkaloid Tetra-methylpyrazine , Ferulic acid, senkyunolide I, dan ligustilide Apoptosis, inflammation Increases BCL-2, decreases Caspase-3, activation of the P13K/AKT pathway, interacting with the ALB, AKT1, MAPK1, MMP9, and EGFR genes decreases proinflammatory cytokines (IL-1mit and TNF-α) and increases IL-10). Angelicae sinensis radix (ASR) [ 15 , 50 ] Polysaccharides, Z-Stillicide, dan ferulic acid Apoptosis, inflammation, regenerative Activation of the P13K/AKT pathway, inhibits the NF-κB path, lowering MPO, helping the differentiation of stem cells. Carthamus tinctorius (SY) [ 9 , 40 , 51 ] Safflower Yellow Apoptosis, myelin regeneration Increasing BCL-2, lowering Bax and Caspase-3, triggers growth and expansion of neurit through the activation of the BDNF/TrkB/ERK pathway.…”

“…Moleac (MLC) 901 is an enhanced phytopharmaceutical that represents an advancement over its predecessor, MLC601 (also known as Danqi Piantang Jiaonang/DPJ ). Research indicates that MLC901, which consists of a blend of active components, comprises crucial compounds that can generate favorable conditions for the growth and specialization of progenitor cells [ 15 ]. The extensive utility of MLC901 administration in facilitating stroke rehabilitation [ 16 ].…”

Systematically Investigating the Pharmacological Mechanism of Momordica grosvenori in the Treatment of Spinal Cord Injury by Network Pharmacology and Experimental Verification

“…System analytic methodologies, such as network pharmacology, are promising for developing fresh approaches to elucidating the drug-gene-disease relationship [ 24 ]. The network pharmacology approach of TCM presents a novel study methodology [ 25 ]. This strategy will promote the use of evidence-based medicine in TCM, helping to prove MG's therapeutic value and improving the current drug discovery process [ 21 ].…”

Retracted: Network Pharmacology and Molecular Docking-Based Investigation of Potential Targets of Astragalus membranaceus and Angelica sinensis Compound Acting on Spinal Cord Injury

“…This article has been retracted by Hindawi following an investigation undertaken by the publisher [1]. This investigation has uncovered evidence of one or more of the following indicators of systematic manipulation of the publication process:…”

“…This article has been retracted by Hindawi following an investigation undertaken by the publisher [ 1 ]. This investigation has uncovered evidence of one or more of the following indicators of systematic manipulation of the publication process: Discrepancies in scope Discrepancies in the description of the research reported Discrepancies between the availability of data and the research described Inappropriate citations Incoherent, meaningless and/or irrelevant content included in the article Peer-review manipulation …”