云南高校图书馆联盟文献共享服务平台- PHARMACOPHORE

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Ergothioneine and its congeners:anti-ageing mechanisms and pharmacophore被引量：4: 《Protein & Cell》2024年第3期191-206,共16页Li Chen Liping Zhang Xujun Ye Zixin Deng Changming Zhao; supported by grants from the National Key R&D Program of China(No.2018YFA0903200 to C.Z.);the National Natural Science Foundation of China(Nos.32270032 and 32070038 to C.Z.,No.32000029 to L.C.).; Ergothioneine,Ovothiol,and Selenoneine are sulfur/selenium-containing histidine-derived natural products widely distributed across different organisms.They exhibit significant antioxidant properties,making them as pot...; 关键词：ERGOTHIONEINE antioxidant ANTI-AGEING LONGEVITY biosynthesis ENZYMOLOGY

Expanding the Boundaries of the Chemical Space of DNA Methyltransferase 1 Modulators: 《Computational Molecular Bioscience》2024年第1期1-16,共16页Massyel S. Martínez-Cortés Diana L. Prado-Romero José L. Medina-Franco; DNA methyltransferase 1 (DNMT1), one of the main epigenetic targets, is involved in the duplication of the DNA methylation pattern during replication, and it is essential for proper mammalian development. Small molecu...; 关键词：Chemical Multiverse CHEMOINFORMATICS EPIGENETICS Pharmacophore Hypothesis Small Molecules

Discovery of tetrazolium nicotinamide derivatives as novel 4-Hydroxyphenylpyruvate dioxygenase inhibiting-based herbicides被引量：2: 《Advanced Agrochem》2023年第2期163-172,共10页Li-Jun Chen Guang-Yi Huang Jin Dong Zhuo-Mei Cai Bao-Qing Ye Qiong Chen Hong-Yan Lin; the National Key Research and Development Program of China(No.2021YFD1700100);National Natural Science Foundation of China(No.22007035,21837001);Knowledge Innovation Program of Wuhan-Basic Research(No.2022013301015174);the Key Research and Development Program of Hubei Province(2022BBA001).; 4-Hydroxyphenylpyruvate dioxygenase(EC 1.13.11.27,HPPD)is currently one of the popular targets of herbicide research,and herbicides targeting it have shown promising results in treating resistant weeds.However,the lon...; 关键词：HPPD INHIBITOR PHARMACOPHORE Tetrazolium nicotinamide Herbicidal activity

Investigation of carbonyl amidation and O-methylation during biosynthesis of the pharmacophore pyridyl of antitumor piericidins被引量：2: 《Synthetic and Systems Biotechnology》2022年第3期880-886,共7页Wanlu Li Wenyu Zhang Yijia Cheng Yaoyao Shen Jianzhao Qi Hou-Wen Lin Yongjun Zhou; support from the National Natural Science Foundation of China(Nos.32070070,31929001,and 31800031);the Innovative Research Team of High-Level Local Universities in Shanghai。; Piericidins are a large family of bacterialα-pyridone antibiotics with antitumor activities such as their anti-renal carcinoma activity exhibited recently in nude mice.The backbones of piericidins are derived fromβ,...; 关键词：POLYKETIDE Pyridine Polyketide synthase(PKS) Natural product biosynthesis

<i>In-Silico</i>Identification of Anticancer Compounds;Ligand-Based Pharmacophore Approach against EGFR Involved in Breast Cancer: 《Advances in Breast Cancer Research》2021年第3期120-132,共13页Irum Khalid Tassadaq Hussain Jafar Ahsanullah Unar Rabia Rasool Ayesha Sahar Hamid Rashid; Objective: Breast cancer is a public health challenge on a global scale that is caused by environmental or genetic factors. Breast cancer...; 关键词：EGFR Breast Cancer Lead Compound Pharmacophore Modeling HBA HBD Aromatic Ring Pharmacophore Triangle Molecular Docking

AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-β-lactamases and indoleamine/tryptophan 2,3-dioxygenases被引量：3: 《Acta Pharmaceutica Sinica B》2021年第7期1931-1946,共16页Qingqing Dai Yuhang Yan Xiangli Ning Gen Li Junlin Yu Ji Deng Lingling Yang Guo-Bo Li; supported by the funds from the National Natural Science Foundation of China(81874291,82073698,and 81502989);the Sichuan Science and Technology Program(2018HH0100,China);111 project(B18035,China);Outstanding Interdiscipline Project of West China Hospital of Sichuan University(ZYJC18024,China); We herein describe AncPhore,a versatile tool for drug discovery,which is characterized by pharmacophore feature analysis and anchor pharmacophore(i.e.,most important pharmacophore features)steered molecular fitting an...; 关键词：Anchor pharmacophore METALLOENZYME Virtual screening Metallo-b-lactamase Indoleamine 2 3-dioxygenase Tryptophan 2 3-dioxygenase

Pharmacophore Based Virtual Screening for Identification of Novel CDK<sub>2</sub>Inhibitors: 《International Journal of Organic Chemistry》2021年第2期72-89,共18页Amar Issa Faten Sliman Jehad Harbali; CDK₂ is one of the most impor...; 关键词：CDK₂ CANCERS Docking INHIBITORS PHARMACOPHORE Virtual Screening

Discovery of Novel N-Glycoside and Non-Glycoside hSGLT2 Inhibitors for the Treatment of Type 2 Diabetes Mellitus被引量：1: 《Journal of Diabetes Mellitus》2019年第3期77-104,共28页Chun-Yi Chang Yih Ho Shwu-Jiuan Lin Hsuan-Liang Liu; Human sodium-glucose cotransporter 2 (hSGLT2) is a membrane protein responsible for glucose reabsorption from the glomerular filtrate in the proximal tubule. Inhibition of hSGLT2 has been regarded as a brand new thera...; 关键词：Human Sodium-Glucose Cotransports 2 (hSGLT2) Type 2 Diabetes MELLITUS (T2DM) Ligand-Based PHARMACOPHORE Model MOLECULAR Docking MOLECULAR Dynamics (MD) Simulations

Structural simplification: an efficient strategy in lead optimization被引量：2: 《Acta Pharmaceutica Sinica B》2019年第5期880-901,共22页Shengzheng Wang Guoqiang Dong Chunquan Sheng; supported by the National Natural Science Foundation of China (Grant No. 81725020 to Chunquan Sheng and No. 21602252 to Shengzheng Wang);the Innovation Program of Shanghai Municipal Education Commission (Grant No. 2019-0107-00-07-E00073 to Chunquan Sheng, China);the Hong Kong Scholars Program (Grant No. XJ201713 to Shengzheng Wang, China); The trend toward designing large hydrophobic molecules for lead optimization is often associated with poor drug-likeness and high attrition rates in drug discovery and development. Structural simplification is a power...; 关键词：STRUCTURAL SIMPLIFICATION Lead optimization DRUG discovery DRUG design REDUCING rings number REDUCING chiral centers STRUCTURE-BASED SIMPLIFICATION Pharmacophore-based SIMPLIFICATION

Discovery of Novel Irreversible HER2 Inhibitors for Breast Cancer Treatment: 《Journal of Biomedical Science and Engineering》2019年第4期225-244,共20页Jhih-Yan Tang Yih Ho Chun-Yi Chang Hsuan-Liang Liu; It has been widely known that human epidermal growth factor receptor 2 (HER2) inhibitors exhibit distinct antitumor responses against HER2-positive breast cancer. To date, Lapatinib (Tykerb®) has been approved by...; 关键词：BREAST Cancer IRREVERSIBLE HER2 INHIBITORS STRUCTURE-BASED PHARMACOPHORE Modeling Molecular DOCKING Mo-lecular Dynamics Simulation

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