Journal of Chinese Pharmaceutical Sciences

Comparative study on ginsenosides of ginsengs from different regions

Yizheng Sun, Ying Qu, Xiaoyan Liu, Wei Xu, Youbo Zhang

2023, 32(12): 961-970. DOI: 10.5246/jcps.2023.12.077

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Ginsenosides, unique bioactive components found in ginseng (Panax ginseng Meyer), can be influenced by the geographical area in which the ginseng is grown. In northeastern China, ginseng thrives in diverse living environments that play a significant role in shaping the composition of ginsenosides. This study aimed to explore the variations in ginseng constituents cultivated in different growing regions. UPLC coupled with triple quadrupole tandem time-of-flight mass spectrometry was employed to analyze and characterize the ginsenosides, while multivariate statistical analysis was utilized to identify differences among ginseng samples from various regions. A total of 359 ginsenosides, including 35 potential new compounds, were characterized in the different ginseng samples. Among them, 283 and 312 ginsenosides were identified in ginseng from non-traditional and traditional cultivation regions, respectively. These findings contributed to the expansion of the ginseng compound library and provided valuable insights for future research on ginseng.

Design and evaluation of potent BRD4 Bromodomain inhibitors based on ZA channel hot spot

Huili Li, Jue Li, Dandan He, Ling Tao, Yubing Jiang, Xiangchun Shen, Fei Jiang

2023, 32(12): 971-988. DOI: 10.5246/jcps.2023.12.078

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Bromodomain, an epigenetic reader module, is garnering increasing interest due to its critical function in recognizing acetylated histones. Bromodomain-containing proteins have been implicated in the development of various diseases, making the targeting of bromodomain a significant strategy for developing protein-protein interaction (PPI) inhibitors. In the present study, a novel hot spot was identified on the ZA channel, which is located in the acetyl lysine binding site of BRD4. To investigate the significance of this hot spot, structure-based drug design was conducted on a 3,5-dimethylisoxazole-based BRD4 inhibitor (4). A series of derivatives were synthesized with structural modifications focusing on the ZA channel hot spot. Through structural optimization, a promising derivative compound 21, was developed, demonstrating nanomolar protein and cell potency. This study suggested that the ZA channel hot spot might play a crucial role in the activity and selectivity of BRD4 inhibitors.

PHT427 functions as a novel inhibitor of KPC-2

Xiaohui Li, Qian Wang, Chennan Liu, Jiangxue Han, Sihan Liu, Tianjun Liu, Qian Wang, Yan Guan, Chunling Xiao, Xiao Wang, Yishuang Liu

2023, 32(12): 989-997. DOI: 10.5246/jcps.2023.12.079

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KPC-2 β-lactamases are a significant global concern as they confer resistance to extended-spectrum cephalosporins and carbapenems, thereby complicating the treatment of Gram-negative bacterial infections. This has underscored the urgent need for novel antimicrobial agents and innovative anti-infective strategies. Our prior research has identified PHT427 as a potent NDM-1 inhibitor. Subsequent investigations revealed its marked inhibitory activity against KPC-2. Specifically, PHT427 inhibited KPC-2 with an IC50 value of 2.04 μM and exhibited a synergistic effect against Escherichia coli BL21(DE3)/pET28a(+)-blaKPC-2 when combined with meropenem. Fluorescence quenching and SPR analyses suggested a direct interaction between PHT427 and KPC-2. Molecular docking and targeted mutagenesis studies further highlighted Arg220, Thr235, and Thr237 as critical residues facilitating this interaction. In summary, our data proposed PHT427 as a promising KPC-2 inhibitor that could potentiate the efficacy of carbapenem antibiotics against KPC-2-producing bacteria.

Comparative study of supraclavicular brachial plexus block with different adjuvants added to ropivacaine

Zhongkui Jiang, Changping Lin, Sanyue Wang, Yunguo Xue, Youliu Yu

2023, 32(12): 998-1005. DOI: 10.5246/jcps.2023.12.080

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The study aimed to investigate the analgesic effect and adverse reactions of ropivacaine alone and its combination with adjuvants dexamethasone or dexmedetomidine in patients undergoing selective ultrasound-guided supraclavicular brachial plexus nerve block (SBPB) for proximal upper limb fractures. A total of 120 patients who underwent internal fixation surgery for proximal upper limb fractures under general anesthesia were randomly divided into three groups: ropivacaine (R), dexmedetomidine (DexM), and dexamethasone (DexA), with 40 patients in each group. After surgery, all patients underwent ultrasound-guided SBPB on the affected side using different interventions: the R group received 20 mL of 0.33% ropivacaine, the DexM group received 20 mL of 0.33% ropivacaine combined with 1 μg/kg of DexM, and the DexA group received 20 mL of 0.33% ropivacaine combined with 10 mg of DexA. Patient-controlled intravenous analgesia (PCIA) was used for postoperative pain management. The study recorded various outcomes, including pain scores using the Numeric Rating Scale (NRS) at different time points, duration of sensory block, first press time of PCIA, morphine consumption, Athens Insomnia Scale (AIS) scores, the occurrence of adverse reactions, and changes in inflammatory indicators. The results demonstrated that compared to the R group, both the DexM and DexA groups had lower postoperative NRS scores at different time points, longer duration of sensory block, delayed first press of the analgesic pump, lower morphine dosage at 48 h, and lower AIS scores, all of which were statistically significant. Compared to the DexA group, the DexM group had lower NRS scores at various time points, a shorter time to first press the analgesic pump, and lower morphine dosage. However, there was no significant difference in sensory block duration and AIS scores between the DexM and DexA groups. The combination of DexA or DexM with ropivacaine for SBPB was found to prolong the analgesic effect, inhibit inflammatory reactions, and show no significant adverse reactions. In this study, DexA exhibited superior analgesic and prolonging effects compared to DexM.

Yu Ping Feng Powder for chronic glomerulonephritis treatment: A meta-analysis and network pharmacology study

Yajing Li, Yawen Bai, Yu Du, Changhong Yan, Chunjie Ma, Lining Sun, Fengyue Bu, Haoyang Yan

2023, 32(12): 1006-1026. DOI: 10.5246/jcps.2023.12.081

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Chronic glomerulonephritis (CGN) is a common kidney disease and the leading cause of renal failure. This not only affects the quality of life of patients but also places a significant burden on their families. The objective of this study was to evaluate the clinical efficacy of Yu Ping Feng Powder (YPF) in treating CGN through meta-analysis and trial sequential analysis (TSA). Additionally, network pharmacology and molecular docking were employed to explore the mechanisms of YPF. We conducted a comprehensive search of the China National Knowledge Infrastructure (CNKI), VIP Database, Sinomed, WanFang, PubMed, and Cochrane Library up until May 2023. Quality assessment and meta-analysis were performed using the RevMan 5.4 software. TSA of key outcome indicators was conducted using TSA Beta software. The active ingredients of YPF were obtained from the TCMSP database, while the CGN targets were sourced from the GeneCards, OMIM, and TTD databases. The shared targets between YPF and CGN were identified using the STRING database and analyzed using Cytoscape 3.7.2 software. GO and KEGG analyses were employed to predict potential pathways affected by YPF in CGN. Finally, molecular docking techniques were utilized to investigate the interactions between core components and targets. The results of the meta-analysis revealed that YPF-based treatment for CGN significantly improved total clinical effectiveness, evidence-based outcomes, and reductions in 24-h urine protein, serum creatinine, and urea nitrogen compared to conventional treatment. Network pharmacology analysis identified TNF, AKT1, IL-6, and VEGFA as key targets for CGN treatment. Molecular docking predicted that the most active ingredients in YPF for CGN were quercetin, kaempferol, and wogonin. YPF demonstrated positive effects in treating CGN through multiple signaling pathways, leading to immunomodulatory, anti-inflammatory, antioxidant, and anti-fibrotic effects.