MOLECULES
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2021
·Vol. 26
·期 5
·1380
·
IF 4.412
Xiutao Wu,Lijie Gong,Chen Chen,Ye Tao,Wuxi Zhou,Lingyi Kong,Jianguang Luo
Harringtonolide (HO), a natural product isolated fromCephalotaxus harringtonia, exhibits potent antiproliferative activity. However, little information has been reported on the systematic structure−activity relationship (SAR) of HO derivatives. Modifications on tropone, lactone, and allyl positions of HO (1) were carried out to provide 17 derivatives (2–13, 11a–11f). The in vitro antiproliferative activity against four cancer cell lines (HCT-116, A375, A549, and Huh-7) and one normal cell line (L-02) was tested. Amongst these novel derivatives, compound6exhibited comparable cell growth inhibitory activity to HO and displayed better selectivity index (SI = 56.5) between Huh-7 and L-02 cells. The SAR results revealed that the tropone and lactone moieties are essential for the cytotoxic activities, which provided useful suggestions for further structural optimization of HO.Keywords:harringtonolide;troponoids;structure-activity relationship (SAR);antiproliferative activity
研究领域:
药物化学
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肿瘤学
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PubMed
高影响因子
JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH
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2021
·
IF 1.571
Yue-E Tian,Di Sun,Xiao-Xiao Han,Jin-Ming Yang,Song Zhang,Nan-Nan Feng,Li-Na Zhu,Zhong-Yuan Xu,Zhi-Ping Che,Sheng-Ming Liu,Xiao-Min Lin,Jia Jiang,Gen-Qiang Chen
Three series of sulfonate derivatives of paeonol were synthesized and screened in vitro for their anti-oomycete activity against P. capsici, respectively. Among all the compounds, 4m displayed the best promising and pronounced anti-oomycete activity against P. capsici than zoxamide, with the EC50 values of 24.51 and 26.87 mg/L, respectively. The results show that acetyl and 4-OCH3 are two necessary groups. The existence of these two sites is closely related to the anti-oomycete activity. Relatively speaking, hydroxyl group is well tolerated, and the results showed that after modification of hydroxyl group with sulfonyl, the anti-oomycete activity was significantly increased.
研究领域:
植物化学
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农药科学
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药物化学
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PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2026
·Vol. 23
·期 8
·e71542
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IF 2.9
Min Xiao,Haowen Huang,Dagen Wang,Lili Yao,Shengliang Liao,Jie Song,Rong Zeng,Shangxing Chen
To develop citral‐based botanical fungicides, 112 previously reported derivatives across 5 series were evaluated in vitro against Colletotrichum fructicola . SAR analysis identified the citral‐thiourea series as the most potent group, with 3‐methoxy derivative c18 showing the highest intraseries activity. Notably, intermediates d (EC 50 = 0.7474 mg/L, EC 90 = 6.0319 mg/L) and g (EC 50 = 0.1073 mg/L, EC 90 = 0.6244 mg/L) demonstrated exceptional efficacy, significantly outperforming commercial chlorothalonil (EC 50 = 1.4382 mg/L, EC 90 = 268.5969 mg/L), with intermediate g emerging as the most potent compound overall. A predictive QSAR model was successfully constructed ( R 2 = 0.8345), revealing that lower polarity, enhanced electronic stability of carbon–hydrogen bonds, higher localized solvation energy, and minimized steric hindrance favor antifungal potency. Furthermore, MTT assays confirmed that derivative g exhibits low cytotoxicity toward human liver and kidney cells, substantially lower than raw citral. This work provides a solid theoretical framework for designing highly active inhibit C. fructicola agents. A library of 112 previously reported citral derivatives is screened to identify potent botanical fungicides against Colletotrichum fructicola . A predictive QSAR model ( R 2 = 0.8345) decrypts structural pathways, elegantly balancing global transmembrane transport with localized target anchoring. Providing exceptional efficacy and low cytotoxicity, these insights offer a definitive blueprint for the next‐generation green pesticides.
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高影响因子
IEEE Geoscience and Remote Sensing Letters
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2021
·
IF 3.966
Keren Dai,Ningling Wen,Xuanmei Fan,Jin Deng,Lele Zhang,Rubing Liang,Jie Liu,Qiang Xu
In the context of global warming, monitoring glacial lakes is of great significance for revealing climate change and mitigating glacier lake outburst floods (GLOFs). Multitemporal mapping of glacier lakes through optical satellite remote-sensing imageries can only provide us comparative analysis of glacier lake changes during long time intervals. In recent years, the rapid development of synthetic aperture radar (SAR) has made it possible to observe seasonal changes of glacial lakes. This letter proposed a polarization enhancement-based maximum interclass variance (PE-MIV) method to accurately and automatically mapping the seasonal cycles of glacial lakes based on multipolarization SAR data. Taking the Gongcuo and Langcuo glacial lakes in Laigu village, Tibetan Plateau, as examples, based on 113 Sentinel-1 SAR imageries covering 2017 to 2020 with a 12-day revisiting time, the seasonal boundary changes of both lakes were extracted automatically with a relative accuracy of 93.59%. The seasonal variations of glacial lake area are closely related to temperature and precipitation. This letter demonstrated that the satellite SAR (short revisiting time, multipolarization, etc.) is an effective tool to monitor areal changes of glacier lakes, which can be widely applied in detecting glacier lakes, GLOFs, and their response to climate change.
研究领域:
遥感监测
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冰川学
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气候学
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环境变化
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INDUSTRIAL CROPS AND PRODUCTS
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2019
·
IF 4.191
Ying Fu,Shuai-Qi Zhang,Yong-Xuan Liu,Jing-Yi Wang,Shuang Gao,Li-Xia Zhao,Fei Ye
4-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27, HPPD) is a very important target for the discovery of novel bleaching herbicides. In order to discover novel triketone green HPPD inhibitors with excellent herbicidal activity and crop selectivity, the natural product leptospermone was selected as the template compound, and niacin was employed as bioisostere to design and synthesize a series of novel substituted niacin-triketone derivatives. Some of the target compounds showed potent Arabidopsis thaliana HPPD ( At HPPD) inhibitory activity in vitro . Especially compound II-1 displayed the best herbicidal activity (IC 50 = 0.262 μM, At HPPD), and was safe for Zea mays at concentration of 300 g ai/ha. Molecular docking results indicated that the triketone moiety of compound II-1 could form a bidentate complex with Fe(II), and the pyridine subunit interacted with Phe430 and Phe360 via π−π packing. The present work indicated that 3-hydroxy-2-nicotinoylcyclohex-2-en-1-one could be a potential lead structure for developing novel green HPPD inhibitors.
研究领域:
植物学
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药物化学
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农业科学
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高影响因子
PEST MANAGEMENT SCIENCE
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2017
·Vol. 74
·期 3
·726-736
·
IF 3.253
Bao-Lei Wang,Hong-Wei Zhu,Zheng-Ming Li,Li-Zhong Wang,Xiao Zhang,Li-Xia Xiong,Hai-Bin Song
BACKGROUND In recent years, pyridylpyrazole derivatives, such as pyridylpyrazole-containing anthranilic diamide have attracted much attention by virtue of their useful insecticidal properties and unique action mode. Moreover, some pyridylpyrazole-containing compounds have also been found to possess significant fungicidal activities. With the aim of discovering new bioactive agrochemicals for crop protection, a series of poly-heterocyclic compounds containing pyridylpyrazole and aziridine, or β-lactam, or thiazolinone moieties were synthesized. RESULTS A series of pyridylpyrazole-containing poly-heterocyclic compounds were obtained, and confirmed through IR, 1 H NMR, 13 C NMR, HRMS and elemental analysis. The crystalline structure of 4-(3-bromo-1-(3-chloropyridin-2-yl)-1 H -pyrazol-5-yl)-3-chloro-1-mesitylazetidin-2-one (compound 13f ) was determined to further illustrate a trans- configuration of the β-lactam motif. In addition, bioassays showed that most of these new compounds exhibited modest insecticidal activity towards Mythimna separate Walker at 200 µg mL −1 . Some of the compounds displayed excellent fungicidal activity towards some plant fungi, including Cercospora arachidicola ( 13j : EC 50 = 14.5 µg mL −1 ), Physalospora piricola ( 12d and 13d : EC 50 = 10.5 and 9.70 µg mL −1 ), Alternaria solani Sorauer ( 13j : EC 50 = 7.29 µg mL −1 ) , Puccinia sorghi Schw. ( 13d : control efficacy 99.0 ± 2.1% at 200 µg mL −1 ) and Erysiphe graminis ( 14d : control efficacy 95.0 ± 1.4% at 200 µg mL −1 ). CONCLUSION Compounds 12b – 12e , 13a , 13d , 13f , 13j , 13 k and 14d could be considered potential fungicidal lead compounds to do further structural optimization. The structure–activity relationship analysis in this study brings some new understanding to the biological activities of N -pyridylpyrazole-containing compounds, and provides important information for the research and development of novel agricultural fungicides with poly-heterocyclic structures. © 2017 Society of Chemical Industry
研究领域:
农药化学
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植物保护
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有机合成化学
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高影响因子
RSC Advances
·
2018
·Vol. 8
·期 35
·19883-19893
·
IF 2.936
Fei Ye,Peng Ma,Yue Zhai,Fei Yang,Shuang Gao,Li-Xia Zhao,Ying Fu
Based on the structure–activity relationship and active substructure combination, a novel class of substituted 2-phenyl-2-cyclohexanedione enol ester derivatives was designed for use as potential herbicide safeners. A microwave-assisted synthetic route was developed for the substituted 2-phenyl-2-cyclohexenone enol ester derivatives via coupling and acylation reactions. In the modified protocol, the reactions were performed under microwave irradiation, resulting in significant improvements in the yields and reaction times. All of the structures were characterized using IR, 1H NMR, 13C NMR and HRMS spectroscopies. The bioassay results demonstrated that most of these compounds could alleviate clethodim injury to maize. Molecular docking modeling showed that the potential antagonism between compound 3(S24) and clethodim plays a key role in the metabolism of herbicides. This paper presents a new safener candidate for maize protection.
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高影响因子
MOLECULES
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2018
·Vol. 23
·期 9
·2203
·
IF 3.098
Peiqi Chen,Xiangmin Song,Yongmei Fan,Weihao Kong,Hao Zhang,Ranfeng Sun
In order to find pesticides with insecticidal and antifungal activities, a series of novel benzoyl pyrimidinylurea derivatives were designed and synthesized. All target compounds were identified by1H-NMR spectroscopy and HRMS. Insecticidal and antifungal activity of these compounds were evaluated and the structure-activity relationships (SAR) were clearly and comprehensively illustrated. Compound7, with low toxicity to zebrafish (LC50= 378.387 µg mL−1) showed 100% inhibition against mosquito (Culex pipiens pallens) at 0.25 µg mL−1. Both compounds19and25exhibited broad-spectrum fungicidal activity (>50% inhibitory activities against 13 phytopathogenic fungi), which were better than those of the commercial pesticide pyrimethanil (>50% inhibitory activities against eight phytopathogenic fungi). Furthermore, compounds19and25exhibited protective activity againstSclerotinia sclerotiorumon leaves ofBrassica oleraceaL. during in vivo experiments.Keywords:benzoylpyrimidinylurea derivatives;antifungal activity;insecticidal activity;embryo toxicity;zebrafish
研究领域:
农药化学
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植物保护
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药物化学
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高影响因子
DESALINATION
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2023
·
IF 9.9
Xueying Gao,Zhenzhen Fu,Yanfei Sun,Dewei Wang,Xiaoxuan Wang,Zishan Hou,Jinrui Wang,Xia Liu,Shiyu Wang,Shuyun Yao,Huiying Zhang,Shuyuan Li,Zheng Tang,Weijie Fu,Kaiqi Nie,Jiangzhou Xie,Zhiyu Yang,Yi-Ming Yan
While MnO 2 has been identified as a potent agent in the desalination process , its efficacy is significantly impeded by its inherent poor electrical conductivity and substantial ion diffusion barriers . By orchestrating an interfacial electron bridge within the MnO 2 /g-C 3 N 4 heterostructure , reinforced through N p z -Mn d z 2 orbital hybridization, we have managed to significantly boost both SAC and SAR in the HCDI process. The reinforced N p z -Mn d z 2 orbital hybridization triggers a substantial electron transition from g-C 3 N 4 to MnO 2 , culminating in a high Mn d z 2 electron occupancy. Further analysis reveals the formation of a Mn N chemical bond at the MnO 2 /g-C 3 N 4 interface, operating as an essential electron transfer bridge from g-C 3 N 4 to MnO 2 . This process concurrently initiates a rise in the Mn d z 2 orbital energy level, equipping the Mn d z 2 electron with superior redox activity. With these enhancements, the manufactured MnO 2 /g-C 3 N 4 exhibits exemplary performance, boasting an improved SAC of 68 mg g −1 and SAR of 3.6 mg g −1 min −1 with a decreased energy consumption of 0.7224 kWh kg −1 at 1.2 V. This innovative work offers an unconventional roadmap for activating electron redox activity and thereby accelerating charge transfer in transition metal oxides .
研究领域:
材料科学
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环境科学
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电化学
·
水处理
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高影响因子
Scientific Reports
·
2016
·Vol. 6
·期 1
·1-11
·
IF 5.228
Liu Hongmei,Chang Hong,Lv Jia,Jiang Cong,Li Zhenxi,Wang Fei,Wang Hui,Wang Mingming,Liu Chongyi,Wang Xinyu,Shao Naimin,He Bingwei,Shen Wanwan,Zhang Qiang,Cheng Yiyun
Polymers are widely used as non-viral carriers for siRNA delivery, but concern has also arisen in their limited efficacy and inherent toxicity. Whilst many of previous efforts have been documented towards improving the performance of polymers via chemical modifications, the structure-activity relationships (SAR) of these ligand-modified polymers are not well understood. To address this issue, we systemically prepared a library of surface-engineered dendrimers (>300) as the screening pool to discover efficient siRNA carriers. The modified ligands include alkyls and fluoroalkyls, amino acids, benzene derivatives and heterocyclic compounds. Gene silencing results showed that the lead material shows excellent efficacy even in hard-to-transfect cells such as mesenchymal stem cells. The SAR studies revealed that ligands containing appropriate hydrophobicity, or ligands with both hydrophobic and functional atoms/groups are essential for polymers to achive efficient knockdown efficacy. A second-generation library designed based on the above principles further confirms the proposed design criteria. The results enable the future rational design of potent siRNA carriers.
研究领域:
药学
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分子生物学
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纳米技术
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高影响因子
Remote Sensing
·
2019
·Vol. 11
·期 5
·585
·
IF 4.118
Xiaojie Liu,Chaoying Zhao,Qin Zhang,Chengsheng Yang,Jing Zhang
Artificial lands or islands reclaimed from the sea due to their vast land spaces and air are suitable for the construction of airports, harbors, and industrial parks, which are convenient for human and cargo transportation. However, the settlement process of reclamation foundation is a problem of public concern, including soil consolidation and water recharge. Xiamen New Airport, one of the largest international airports in China, has been under construction on marine reclamation land for three years. At present, the airport has reached the second phase of construction, occupying 15.33 km2. The project will last about twenty years. To investigate the temporal and spatial evolution of ground settlement associated with land reclamation, Sentinel-1 synthetic aperture radar (SAR) data, including intensity images and phase measurements, were considered. A total of 82 SAR images acquired by C-band Sentinel-1 satellite covering the time period from August 2015 to October 2018 were collected. First, the spatial evolution process of land reclamation was analyzed by exploring the time series of SAR image intensity maps. Then, the small baseline subset InSAR (SBAS–InSAR) technique was used to retrieve ground deformation information over the past three years for the first time since land reclamation. Results suggest that the reclaimed land experienced remarkable subsidence, especially after the second phase of land reclamation. Furthermore, 26 ground settlement areas (i.e., 0.015% of the whole area) associated with land reclamation were uncovered over an area of more than 1200 km2of the Xiamen coastal area from January 2017 to October 2018. This study offers important guidance for the next phase of land reclamation and the future construction of Xiamen New Airport.
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MICROPOROUS AND MESOPOROUS MATERIALS
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2021
·
IF 5.455
Bo Meng,Shenyong Ren,Zhi Li,Suofu Nie,Xinyue Zhang,Weiyu Song,Qiaoxia Guo,Baojian Shen
The direct synthesis of zeolite Y with high SiO 2 /Al 2 O 3 (SAR > 6.0) and small crystal size is a great challenge. The conventional production of high silica Y usually involves organic template into the synthesis system, which takes high cost. Here, zeolite Y with SAR of 6.15 and small crystal size via introducing Co 2+ in a facile one-step hydrothermal method without organic template was achieved. The SAR increased from 5.2 to 6.15 compared to normal NaY, and the crystal size decreased to 50%. The introduction of Co 2+ in synthesis system affects the formation of 5-coordination intermediate ( M-O -Si )* around Co 2+ during crystallization process which is the critical factor to nucleation. The stability of ( Co–O –Si )* is weaker than that of ( Al–O –Si )*, which leads to the increase of SAR around Co 2+ . The microcrystals of Co(OH) 2 provide adhesive surface for the amorphous material and promote nucleation. The zeolite Y shows good performance in the cracking of 1,3,5-triisopropylbenzene because of larger surface area and more active sites being exposed. This is a new strategy for industrial synthesis of high SiO 2 /Al 2 O 3 and small crystal size zeolite Y.
研究领域:
材料科学
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化学工程
·
催化
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高影响因子
危险品化学品经营许可证（带存储）