BIOORGANIC CHEMISTRY生物有机化学
BIOORGANIC CHEMISTRY(英文缩写 BIOORG CHEM),ISSN 0045-2068,eISSN 1090-2120,中文译名:生物有机化学 是一本学术期刊。本页汇总该期刊的最新影响因子、分区信息以及最新收录于 PubMed 的文献,帮助您快速了解期刊全貌。
发文量统计区间：2025-11-01 至 2026-10-31，按本站收录文献的发表日期统计。
期刊介绍
历年影响因子趋势
| JCR 数据年份 | 影响因子 | JCR 分区 |
|---|---|---|
| 2021 | 5.307 | Q1 |
| 2022 | 5.100 | Q1 |
| 2023 | 4.500 | Q1 |
| 2024 | 4.700 | Q1 |
| 2025 | 5.100 | Q1 |
BIOORGANIC CHEMISTRY 最新收录文献
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1. Neuroactive gypenosides from Yunnan Gynostemma pentaphyllum: Nrf2-mediated cytoprotection and cholinesterase inhibition.
1. 云南绞股蓝中的神经活性绞股蓝皂苷：Nrf2介导的细胞保护作用与胆碱酯酶抑制PMID:日期:2026-10-01Gynostemma, commonly known as "Jiaogulan," is a medicinal and edible plant genus native to Asia, with Yunnan Province recognized as a primary center of biodiversity and distribution. Despite its widespread use, the neuroactive constituents and their geographical variation remain insufficiently investigated. In this study, we compared the AChE and BuChE inhibitory activities of five Yunnan-collected samples and their neuroprotective effects against 6-OHDA-induced oxidative injury in SH-SY5Y cells. Among them, G. pentaphyllum from Zhaotong City (ZTB) displayed the most potent bioactivity. Bioactivity-guided fractionation of ZTB afforded 11 compounds, including two previously undescribed gypenosides (1 and 2). Mechanistic investigations revealed that compounds 1-4 significantly reduced reactive oxygen species and malondialdehyde levels, restored superoxide dismutase activity, and improved neuronal cell survival by activating the Nrf2/HO-1/NQO1 antioxidant pathway, as confirmed by western blot analysis. Additionally, the isolated flavonoids-kaempferol, quercetin, and ombuoside-exhibited strong AChE inhibitory effects. Collectively, these findings demonstrate clear regional differences in pharmacological efficacy among the five samples, identify new gypenosides from ZTB with both cholinesterase-inhibitory and cytoprotective activities in vitro, and provide preliminary scientific validation for the ethnopharmacological application of ZTB in the context of neurodegenerative disorders. These results suggest that this species could be considered a potential candidate plant for functional foods.
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2. Design, synthesis and anticancer potential of new peptide conjugates via urokinase inhibition: biological and in silico studies.
PMID:日期:2026-10-01A new series of peptide derivatives was designed, synthesized, and structurally confirmed. The target compounds were evaluated for their anticancer activity against four human cancer cell lines: HepG-2 (hepatocellular carcinoma), MCF-7 (breast carcinoma), HeLa (cervical epithelioid carcinoma), and MDA-MB-231 (triple-negative breast cancer). Eight compounds exhibited exceptional broad-spectrum cytotoxicity, outperforming the standard drug Doxorubicin across most tested cell lines. Consequently, their inhibitory activity against the urokinase-type plasminogen activator (uPA) enzyme was evaluated using Rivaroxaban as a reference standard. Hybrids bearing heterocyclic acid moieties, compounds 13 and 18, emerged as the most potent uPA inhibitors, displaying IC of 0.546 ± 0.018 μM and 0.698 ± 0.023 μM, respectively-both superior to Rivaroxaban (IC = 0.729 ± 0.024 μM). Mechanistic studies on MCF-7 cells demonstrated that compounds 13 and 18 induced cell cycle arrest at the G2/M phase and triggered apoptosis (31.41% and 23.25%, respectively) with low necrosis (3.81% and 2.94%, respectively, vs. 1.71% in control). RT-qPCR analysis revealed significant upregulation of pro-apoptotic Bax (6.55 and 4.07-fold) and downregulation of anti-apoptotic Bcl-2 (0.45- and 0.22-fold), confirming activation of apoptosis pathways. Molecular docking, binding energy calculations, and surface mapping against uPA highlighted critical interactions with key active site residues (Gly219, Cys220, Arg217, and Gln192), rationalizing their potent enzymatic inhibition. Furthermore, molecular dynamics simulations provided critical atomistic insights into the conformational stability and binding mechanisms, highlighting the therapeutic potential of the identified compounds.
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3. A lysosome-targeted dual-lock fluorescent probe based on synergistic pH/viscosity response for visualizing autophagy and tumor tissues.
PMID:日期:2026-09-30The pH value and viscosity in the lysosomal microenvironment play a crucial role in maintaining cellular homeostasis, and their abnormalities are closely related to various diseases. However, most of the existing fluorescent probes only respond to a single parameter, such as pH or viscosity, making it difficult to achieve highly specific imaging. Therefore, in this study, a novel "dual-lock" activated fluorescent probe BT-CZ was designed and synthesized based on the "AND gate" logic. This probe only turns on green fluorescence when both acidic conditions and high viscosity are present, effectively avoiding false positive signals caused by single environmental fluctuations. In vitro experiments demonstrated that BT-CZ exhibits sensitivity to viscosity and high selectivity under acidic conditions. Cell imaging and orthogonal pharmacological experiments confirmed that it can accurately target lysosomes and exhibit "dual-lock" activation behavior. Using the EBSS starvation-induced autophagy model, BT-CZ successfully monitored the coordinated alterations in lysosomal acidity and viscosity and could distinguish between functional autophagy and autophagic flux blockage. Notably, BT-CZ demonstrated effectiveness in the real-time in-situ diagnosis of tumor tissues with almost no background signal in normal organs.
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4. Dual-target chemical profiling of anti-influenza multi-components from Isatidis Radix via direct binding to neuraminidase and hemagglutinin.
PMID:日期:2026-09-30Isatidis Radix, the root of Isatis indigotica, is a traditional Chinese medicine used against influenza. However, its chemical profile responsible for direct anti-influenza activity remains poorly characterized. This present study aims to classify the anti-influenza constituents of Isatidis Radix and to investigate their direct interactions with the key viral targets, neuraminidase (NA) and hemagglutinin (HA). To this end, a compound library comprising 91 constituents was assembled (78 isolated and 13 acquired), including nine undescribed compounds. Surface plasmon resonance (SPR) was employed to assess binding affinities to NA and HA. Antiviral activity of the compound library was validated in influenza A (H1N1)-infected A549 cells, and molecular docking simulations were performed to explore binding modes. SPR screening revealed that 63.7% and 71.4% of the library showed moderate-to-strong binding to NA and HA, respectively, with alkaloids and lignans as the predominant active classes. Notably, compounds 8, 15, 48, and 87 exhibited nanomolar KD values (0.49-4.22 nM for NA; 0.63-6.26 nM for HA), comparable to oseltamivir and arbidol. Cellular assays demonstrated that 76.9% of tested compounds showed antiviral activity (EC < 200 μM), with indole alkaloids and glycosylated lignans being most potent. Integrative SPR and cellular data confirmed a positive correlation between dual-target binding and antiviral efficacy. These findings establish that the anti-influenza activity of Isatidis Radix arises from multi-component, multi-target actions on NA and HA, providing a scientific basis for its clinical use and quality control.
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5. Structural optimization of donepezil-like hybrids toward an improved multi-target and ADME-related profile.
5. 多奈哌齐类杂合分子的结构优化以实现改进的多靶点及ADME相关特性PMID:日期:2026-09-29Alzheimer's disease (AD) is a multifactorial neurodegenerative disorder involving mainly cholinergic dysfunction, protein misfolding, and metal dyshomeostasis. Considering the complexity of the pathology, multi-target approaches represent a valuable alternative to current approved mono-target treatments. In this study, starting from two previously identified lead compounds, fifteen new derivatives were designed. Various functional groups were introduced to evaluate their impact on cholinesterases (ChEs) and fatty-acid amide hydrolase (FAAH) and in some cases potent selective human acetylcholinesterase inhibition was observed (IC up to 9 ± 1 nM for compound 1 and 3). Among the series, the amine-based derivatives (9 and 11) were further evaluated for Fe, Cu, and Zn chelation ability, under a metal targeted strategy, showing high selectivity (pFe = 16.1, pCu = 11.0 and pZn = 6.03 for compound 11) and a metal-binding pattern suitable for anti-AD activity. Additionally, these molecules exhibited noteworthy antioxidant properties (IC = 17-45 μM for compounds 9-11), thus potentially beneficial in overcoming ROS overproduction typical of the disease. Finally, the whole series was subjected to an extensive in vitro ADME-related profiling, showing promising experimental ADME-related properties.
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6. Synthesis of novel quinazolinone-based heterocyclic acetamides as P. aeruginosa PqsR inhibitors.
6. 新型喹唑啉酮类杂环乙酰胺作为铜绿假单胞菌PqsR抑制剂的合成PMID:日期:2026-09-29Antimicrobial resistance (AMR) has become a major global concern for public health and economics and there is an urgent need to develop novel classes of antimicrobial drugs. Quorum Sensing (QS) has emerged as a promising target to counter AMR in P. aeruginosa as it controls the virulence factors and biofilm formation, causing infections in host and resistance against antibiotics. Pseudomonas quinolone signal (PQS) is one of the major signalling systems that includes PQS and HHQ as autoinducers which binds to transcription regulator PqsR (MvfR). Targeting PqsR to inhibit QS signalling could be a promising way of combating antimicrobial resistance in addition to conventional antimicrobial treatments. In this study, we have designed and synthesized a series of novel quinazolinone-based heterocyclic acetamides as PqsR modulators. The most potent compound 10k exhibited promising PqsR modulation with 87% reduction of pqs signalling at 200 μM concentration. It also showed significant reduction of biofilm formation in P. aeruginosa PAO1 strain. Additionally, it showed reduction in pyocyanin production in PAO1 strain at 200 μM with low haemolytic toxicity. Finally, the molecular docking studies showed that it occupies the same binding pocket in the PqsR receptor ligand binding domain with binding poses closely resembling the binding poses of native ligand PQS. This study has highlighted the potential of these molecules to be used to develop potent PqsR inhibitors which will serve as a novel way to treat antimicrobial resistance and microbial virulence in P. aeruginosa.
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7. PROTAC probe-assisted degradomics identifies SPINT2 as a candidate cellular target involved in the anti-cancer activity of Flupentixol.
7. PROTAC探针辅助降解组学鉴定SPINT2为参与氟哌噻吨抗癌活性的候选细胞靶点PMID:日期:2026-09-29Targeted protein degradation has emerged not only as a therapeutic modality but also as a useful strategy for target deconvolution. This study investigated the anti-cancer activity and pharmacological targets of the anti-psychotic drug Flupentixol using a PROTAC probe-assisted degradomics strategy. We first verified the anti-cancer activity of Flupentixol in vitro and in vivo. To facilitate target identification, we designed and synthesized a series of Flupentixol-derived PROTACs as functional chemical probes rather than therapeutic degraders, and selected F-5 as an optimized probe for degradation-based proteomic profiling. TMT-based quantitative proteomics identified SPINT2 as a candidate cellular target engaged by the Flupentixol warhead in human colon cancer LoVo cells. CETSA and DARTS assays further supported cellular engagement of SPINT2 by Flupentixol. UPS inhibition and competitive binding experiments confirmed that F-5 induced CRBN- and ubiquitin-proteasome system-dependent degradation of SPINT2. Mechanistic studies suggested that Flupentixol promoted apoptosis and inhibited migration and invasion by functionally enhancing SPINT2-mediated suppression of HGFA/ST14/HPN-dependent HGF/MET and PI3K/AKT signaling. SPINT2 knockdown experiments further supported the involvement of SPINT2 in the cellular effects of Flupentixol. This research provides molecular insight into the repurposing of Flupentixol for oncology and highlights the utility of PROTAC probe-assisted degradomics for target discovery of existing drugs.
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8. Redox-active Selenoglycoconjugates: Synthetic strategies, biological evaluation, and preliminary insights from mannose-derived analogues.
8. 氧化还原活性硒糖偶联物：合成策略、生物学评价及甘露糖衍生类似物的初步研究PMID:日期:2026-09-29Selenoglycoconjugates are an emerging class of hybrid molecules that combine selenium-containing carbohydrate scaffolds with phenolic moieties to generate structurally tunable compounds with distinctive redox and biological properties. This review discusses the rationale, synthesis, characterization, and biological evaluation of hydroxycinnamic acid-based selenoglycoconjugates, with particular emphasis on ribose- and mannose-derived analogues. Literature data on selenium redox chemistry, selenosugar synthesis, and phenol-selenoglycoconjugate construction are integrated with original, previously unpublished data on the radical-scavenging and cellular redox activities of newly synthesized mannose-derived analogues. Comparison of cell-free radical-scavenging assays with cellular MTT-derived redox responses reveals how structural variations differentially influence antioxidant activity and cellular redox behaviour. This comparative structure-activity perspective highlights the need to distinguish direct antioxidant capacity from broader cellular redox modulation. The available evidence highlights selenoglycoconjugates as versatile molecular platforms for the rational design of selenium-based bioactive compounds at the interface of organic chemistry and biology.
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9. A polarity-responsive lipid droplet-targeted fluorescent probe for foam cell imaging and anti-atherosclerotic natural bioactive compounds screening.
9. 一种极性响应型脂滴靶向荧光探针用于泡沫细胞成像及抗动脉粥样硬化天然生物活性化合物筛选PMID:日期:2026-09-29Intracranial atherosclerosis often causes severe neurosurgical cerebrovascular diseases through foam cell lipid deposition and oxidative stress. Visualizing lipid droplets and oxidative stress in foam cells aids lesion study and screening of vasoprotective natural products. We designed a polarity-responsive fluorescent probe, AFA, with solvent-dependent solvatochromism for foam cell imaging and anti-atherosclerotic screening. Probe AFA emits strong fluorescence at 592 nm in lipophilic environments, serving as the main imaging signal. In water/1,4-dioxane mixtures, probe AFA's fluorescence varies with solvent polarity. The probe remained optically stable for at least 80 min, effective across 6.0-11.0, and resisted biological interference. Experiments with edible oils confirmed its ability to distinguish hydrophobic lipid microenvironments from aqueous media. Biological tests show low cytotoxicity and good biocompatibility in RAW264.7 cells. Confocal microscopy reveals that probe AFA selectively localizes to lipid droplets in oxidized low-density lipoprotein (Ox-LDL)-induced foam cells, with fluorescence intensity correlating with Ox-LDL levels. Antioxidant treatments confirm that fluorescence intensity correlates with lipid droplet accumulation from intracellular oxidative stress, indirectly reflecting cellular redox state. We further use probe AFA to assess six bioactive compounds from Salvia miltiorrhiza for their ability to reduce oxidative stress in foam cells, demonstrating its utility for screening anti-atherosclerotic agents. Probe AFA's polarity-gated "off-on" emission at 592 nm upon lipid droplet targeting and capability to indirectly assess cellular oxidative stress by monitoring lipid droplet accumulation make it a versatile tool for lipid droplet imaging, redox-state monitoring, and identifying cerebroprotective natural compounds targeting intracranial atherosclerosis in neurosurgical research.
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10. Grapefruit-derived nanovesicles: a promising nanoplatform for enhancing the therapeutic efficacy of andrographolide against ulcerative colitis.
PMID:日期:2026-09-28Andrographolide (AGP) is a promising bioactive candidate for treating ulcerative colitis (UC), but its clinical application is severely hindered by poor water solubility and low oral bioavailability. Plant-derived nanovesicles have emerged as attractive oral delivery systems due to their biocompatibility, inherent bioactivity, cost-effectiveness, and ability to improve the bioavailability and therapeutic efficacy of anti-UC agents. Herein, we developed bioactive and biocompatible grapefruit-derived nanovesicles (GDNs) as an efficient delivery system for AGP to treat UC. GDNs were prepared via PEG8000 precipitation combined with ultracentrifugation, and AGP was loaded into GDNs through reproducible ultrasonic incubation, achieving a drug loading capacity of 9.50 ± 0.48% (w/w). Pharmacokinetic assays in rats demonstrated that oral administration of AGP-loaded GDNs (GDNs-AGP) increased plasma AGP concentration by 2.75-fold and prolonged its retention time compared with free AGP. In a dextran sulfate sodium (DSS)-induced UC mouse model, GDNs-AGP outperformed free AGP and GDNs alone in attenuating disease severity, as evidenced by improved colon length, reduced histological damage, and downregulated pro-inflammatory cytokines expression. Mechanistically, GDNs-AGP exerted anti-UC effect by restoring intestinal microbiota homeostasis and regulating unsaturated fatty acid biosynthesis pathways. These results indicate that GDNs serve as a versatile and efficient delivery system for hydrophobic natural products such as AGP, offering a promising strategy to enhance their therapeutic efficacy in UC treatment.