Department of Ultrasound in Medicine, School of Medicine, The Second Affiliated Hospital of Zhejiang University, Zhejiang University, 88 Jiefang Road, Shangcheng District, Hangzhou, 310009, China.
Post-Doctoral Research Center, Zhejiang SUKEAN Pharmaceutical Co., Ltd, Hangzhou, 311228, China.
BMC Complement Med Ther. 2024 May 28;24(1):207. doi: 10.1186/s12906-024-04500-7.
Traditional Chinese medicine (TCM), AYURVEDA and Indian medicine are essential in disease prevention and treatment. Kelisha capsule (KLSC), a TCM formula listed in the Chinese Pharmacopoeia, has been clinically proven to possess potent antibacterial properties. However, the precise antimicrobial mechanism of KLSC remained unknown. This study aimed to elucidate the dual antibacterial mechanism of KLSC using network pharmacology, molecular docking, and experimental validation. By analyzing the growth curve of Escherichia coli (E. coli), it was observed that KLSC significantly inhibited its growth, showcasing a remarkable antibacterial effect. Furthermore, SEM and TEM analysis revealed that KLSC damaged the cell wall and membrane of E. coli, resulting in cytoplasmic leakage, bacterial death, and the exertion of antibacterial effects. The network pharmacology analysis revealed that KLSC exhibited an effect on E. coli ATP synthase, thereby influencing the energy metabolism process. The molecular docking outcomes provided evidence that the active compounds of KLSC could effectively bind to the ATP synthase subunit. Subsequently, experimental findings substantiated that KLSC effectively suppressed the activity of ATP synthase in E. coli and consequently decreased the ATP content. This study highlighted the dual antibacterial mechanism of KLSC, emphasizing its effects on cell structure and energy metabolism, suggesting its potential as a natural antibacterial agent for E. coli-related infections. These findings offered new insights into exploring the antibacterial mechanisms of TCM by focusing on the energy metabolism process.
中药、阿育吠陀和印度医学在疾病预防和治疗中至关重要。克痢痧胶囊（KLSC）是一种被列入《中国药典》的中药方剂，已被临床证明具有很强的抗菌作用。然而，KLSC 的精确抗菌机制尚不清楚。本研究旨在利用网络药理学、分子对接和实验验证来阐明 KLSC 的双重抗菌机制。通过分析大肠杆菌（E. coli）的生长曲线，观察到 KLSC 显著抑制其生长，表现出显著的抗菌效果。此外，SEM 和 TEM 分析表明 KLSC 破坏了大肠杆菌的细胞壁和膜，导致细胞质泄漏、细菌死亡和抗菌作用的发挥。网络药理学分析表明 KLSC 对大肠杆菌 ATP 合酶有影响，从而影响能量代谢过程。分子对接结果表明 KLSC 的活性化合物能有效地与 ATP 合酶亚基结合。随后的实验结果证实 KLSC 能有效抑制大肠杆菌中 ATP 合酶的活性，从而降低 ATP 含量。本研究强调了 KLSC 的双重抗菌机制，即对细胞结构和能量代谢的影响，表明其作为治疗大肠杆菌相关感染的天然抗菌剂具有潜力。这些发现为通过关注能量代谢过程来探索中药的抗菌机制提供了新的思路。
