Cardiology Department, Guigang City People's Hospital, The Eighth Affiliated Hospital of Guangxi Medical University, Guigang, China.
College of Pharmacy, Guangxi Medical University, Nanning, China.
Front Endocrinol (Lausanne). 2022 Jul 8;13:790619. doi: 10.3389/fendo.2022.790619. eCollection 2022.
Heart failure (HF) and diabetes mellitus (DM) are life-threatening diseases. However, existing clinical drugs to treat HF complicated with DM are relatively limited. In this study, we performed a viable bioinformatics strategy combining network pharmacology and molecular docking to identify potential anti-HF and -DM targets and therapeutic mechanisms of calycosin, a functional phytoestrogen.
Web-based databases were used to collect candidate genes/targets of calycosin and HF/DM and then identify the hub bio-targets of calycosin against HF/DM. Using the online-available database, all functional processes and signaling pathways of calycosin against HF/DM were screened and identified before further visualization.
All potential bio-targets of calycosin and HF/DM were collected, and 20 hub targets of calycosin against HF/DM were identified. Interestingly, molecular docking findings indicated that mitogen-activated protein kinase-1 (MAPK1), β-arrestin 1 (ARRB1), and homologue-1 (ABL1) may be potent pharmacological targets of calycosin against HF/DM. In addition, all primary molecular functions of calycosin against HF/DM were identified, including regulating protein binding, ubiquitination, and the metabolic process. Furthermore, the top molecular pathways of calycosin against HF/DM were revealed, including cardiomyocyte and chemokine signaling pathways.
Our bioinformatics analysis uncovered the network targets and therapeutic mechanisms of calycosin against HF/DM. For the first time, the current findings revealed that the identified hub targets may be used to screen and treat HF/DM.
心力衰竭（HF）和糖尿病（DM）是危及生命的疾病。然而，现有的治疗 HF 合并 DM 的临床药物相对有限。在这项研究中，我们采用了一种可行的生物信息学策略，结合网络药理学和分子对接，以鉴定染料木素（一种功能性植物雌激素）治疗 HF 和 DM 的潜在靶点和治疗机制。
利用基于网络的数据库收集染料木素和 HF/DM 的候选基因/靶标，然后鉴定染料木素治疗 HF/DM 的关键生物靶标。利用在线可用的数据库，筛选和鉴定了染料木素针对 HF/DM 的所有功能过程和信号通路，然后进行进一步可视化。
收集了所有潜在的染料木素和 HF/DM 的生物靶标，并鉴定了 20 个染料木素针对 HF/DM 的关键靶标。有趣的是，分子对接研究结果表明，丝裂原活化蛋白激酶 1（MAPK1）、β-arrestin 1（ARRB1）和同源物 1（ABL1）可能是染料木素治疗 HF/DM 的潜在药理学靶点。此外，还鉴定了染料木素针对 HF/DM 的所有主要分子功能，包括调节蛋白质结合、泛素化和代谢过程。此外，揭示了染料木素针对 HF/DM 的主要分子途径，包括心肌细胞和趋化因子信号通路。
我们的生物信息学分析揭示了染料木素治疗 HF/DM 的网络靶点和治疗机制。首次发现，鉴定的关键靶标可用于筛选和治疗 HF/DM。
