PHARMACOPHORES

作品数：7被引量：1H指数：1
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相关领域：医药卫生理学更多>>
相关期刊：《International Journal of Organic Chemistry》《Advanced Agrochem》《Acta Pharmacologica Sinica》《Traditional Medicine Research》更多>>
相关基金：国家自然科学基金更多>>
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Discovery of 4-Hydroxyphenylpyruvate dioxygenase inhibitors with novel pharmacophores
《Advanced Agrochem》2024年第4期344-350,共7页Tai-Li Yang Jin Dong Xin-Long Wang Jiangqing Dong Hong-Yan Lin 
National Key Research and Development Program of China(No.2023YFD1700500);National Natural Science Foundation of China(22377031);Hubei Provincial Science and Technology Plan Project(2022BEC051);Knowledge Innovation Program of Wuhan-Basic Research(No.2022013301015174);Key Research and Development Program of Hubei Province(2022BBA001).
4-Hydroxyphenylpyruvate dioxygenase(HPPD)is pivotal in tyrosine metabolism and essential for plant survival.Its inhibition leads to leaf bleaching and plant death.While current HPPD inhibitors are effective,they pose ...
关键词：METABOLISM PRECISE traditionally 
In Silico Docking of Rhodanine Derivatives and 3D-QSAR Study to Identify Potent Prostate Cancer Inhibitors
《Computational Chemistry》2022年第2期19-52,共34页Koffi Alexis Respect Kouassi Adenidji Ganiyou Diomande Gbe Gondo Didier Anoubilé Benié Ziao Nahossé 
The 3VHE protein is considered as a potential target for the treatment of prostate cancer. In order to find new 3VHE inhibitors, pharmacophore models based on the molecular structure of rhodanine derivatives and a thr...
关键词：RHODANINE PHARMACOPHORES 3D-QSAR Molecular Docking 
Trisubstituted Aryl Cyclohexanecarboxylates (TACC): A Simple, New Molecular Scaffold for Antibiotics Design
《International Journal of Organic Chemistry》2019年第3期142-162,共21页Olusegun B. Olubanwo Arianna Kazez Daniel W. Carney Jason K. Sello 
A new class of potential antibacterial agents has been synthesized on a new molecular scaffold of cyclohexane carboxylate. We have tagged this new class of compounds TACCs (Trisubstituted Aryl Cyclohexanecarboxylate)....
关键词：Cyclohexanecarboxylate Oxocyclohexanecarboxylate CLPP Activator Bacillus SUBTILIS Antibacterial ANTIBIOTICS Pseudo-Robinson Protocol PHARMACOPHORES CLP Protease 
Screening for cyclooxygenase 2 inhibitors from natural compounds of Radix Glycyrrhizae using computer simulation
《Traditional Medicine Research》2018年第3期115-130,共16页Ming Yang Yi Jin Li-Ping Yang 
Objective： To explore the molecular basis of the effects of Gancao （Radix Glycyrrhizae, GC） on inflammation throughthe inhibition of cyclooxygenase 2 （COX-2）. Methods： The Discovery Studio 4.5 System was used to...
关键词：Radix Glycyrrhizae COX-2 PHARMACOPHORES Molecular docking Physicochemical properties 
Discovery of ErbB/HDAC inhibitors by combining the core pharmacophores of HDAC inhibitor vorinostat and kinase inhibitors vandetanib,BMS-690514,neratinib,and TAK-285
《Chinese Chemical Letters》2017年第6期1220-1227,共8页Chao Ding Dan Li Yan-Wei Wang Sai-Sai Han Chun-Mei Gao Chun-Yan Tan Yu-Yang Jiang 
supported by funding from the National Natural Science Foundation of China(No.21272134);Shenzhen Municipal Government(No.CXB201104210014A and20150113A0410006)
By combining the core pharmacophores of HDAC inhibitor vorinostat and kinase inhibitors vandetanib,BMS-690514,neratinib,and TAK-285 with 1,2,3-triazole as linker,eight novel 6-substituted-4-aminoquinazolin derivatives...
关键词：Anticancer Kinase HDAC Multitarget Selectivity 
Design, Synthesis and Biological Evaluation of Novel Antitubercular Agents by Combining Pyrazoline and Benzoxazole Pharmacophores
《International Journal of Organic Chemistry》2016年第3期157-176,共20页Hemal M. Soni Popatbhai K. Patel Mahesh T. Chhabria Ashish K. Patel Dharmraj N. Rana Pathik S. Brahmkshatriya 
Various recent reports on Tuberculosis have alarmed an increase in the patient class and subsequent death rates across the globe. Over and above the spread of more dangerous and fatal forms of tuberculosis like MDR-TB...
关键词：ANTITUBERCULAR BENZOXAZOLE PYRAZOLINE PHARMACOPHORE Microplate Alamar Blue Assay 
Conformational re-analysis of(+)-meptazinol:an opioid with mixed anal-gesic pharmacophores被引量：1
《Acta Pharmacologica Sinica》2006年第9期1247-1252,共6页Wei LI Xing-hai WANG Choi-wan LAU Yun TANG Qiong XIE Zhui-bai QIU 
Project supported by the National Natural Science Foundation of China(№30271539,2003-2005).
Aim： To further investigate the analgesic pharmacophore of （＋）-meptazinol. Methods： Two different opioid pharmacophores, Pharm-Ⅰ and Pharm-Ⅱ, were established from structures of nine typical opiates and meperid...
关键词：（＋）meptazinol opioid analgesics arylpiperidines Conformational Analysis  pharmacophore. 
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