Search Results - "Yu, Huidong"

Directed arene/alkyne annulation reactions via aerobic copper catalysis by Zhang, Yi, Wang, Qian, Yu, Huidong, Huang, Yong

“…We describe a straightforward protocol for a smooth dehydrogenative annulation reaction between various arenes and terminal alkynes using a catalytic amount of…”
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Computational models for predicting substrates or inhibitors of P-glycoprotein by Chen, Lei, Li, Youyong, Yu, Huidong, Zhang, Liling, Hou, Tingjun

“…The impact of P-glycoprotein (P-gp) on the multidrug resistance and pharmacokinetics of clinically important drugs has been widely recognized. Here, we review…”
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Advances in the development of Rho-associated protein kinase (ROCK) inhibitors by Pan, Peichen, Shen, Mingyun, Yu, Huidong, Li, Youyong, Li, Dan, Hou, Tingjun

“…•The structures and therapeutic importance of ROCK are outlined.•The available inhibitors of ROCK are summarized.•The binding mechanisms of representative ROCK…”
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Metabolic reprogramming in esophageal squamous cell carcinoma by Wang, Ziyi, Sun, Xiangyu, Li, Zehui, Yu, Huidong, Li, Wenya, Xu, Yan

“…Esophageal squamous cell carcinoma (ESCC) is a malignancy with high incidence in China. Due to the lack of effective molecular targets, the prognosis of ESCC…”
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Farnesyltransferase and geranylgeranyltransferase I: structures, mechanism, inhibitors and molecular modeling by Shen, Mingyun, Pan, Peichen, Li, Youyong, Li, Dan, Yu, Huidong, Hou, Tingjun

“…•Structures and therapeutic importance of FTase and GGTase-1 are briefly outlined.•Available inhibitors of FTase and GGTase-1 are systematically…”
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Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling Approaches by Pan, Peichen, Li, Youyong, Yu, Huidong, Sun, Huiyong, Hou, Tingjun

“…Originally isolated from natural products, camptothecin (CPT) has provided extensive playing fields for the development of antitumor drugs. Two of the most…”
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ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs by Cao, Dongyue, Wang, Junmei, Zhou, Rui, Li, Youyong, Yu, Huidong, Hou, Tingjun

“…Good and extensive experimental ADMET (absorption, distribution, metabolism, excretion, and toxicity) data is critical for developing reliable in silico ADMET…”
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Absorption, Distribution, Metabolism, Excretion, and Toxicity Evaluation in Drug Discovery. 14. Prediction of Human Pregnane X Receptor Activators by Using Naive Bayesian Classification Technique by Shi, Huali, Tian, Sheng, Li, Youyong, Li, Dan, Yu, Huidong, Zhen, Xuechu, Hou, Tingjun

“…The activation of pregnane X receptor (PXR), a member of the nuclear receptor (NR) superfamily, can mediate potential drug–drug interactions, and therefore,…”
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Facile construction of aggregation-induced emission molecular liquids via Piers-Rubinsztajn reaction for green fluorescent ink by Fu, Rong, Yu, Longyue, Zhang, Junying, Yu, Huidong, Feng, Shengyu, Xu, Xing-Dong

“…Solvent-free luminescent molecular liquids (LMLs), which exhibit nonvolatile fluidic nature and active optoelectronic properties, were widely used. For further…”
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Paleogeography of South China in the Early Paleozoic: evidence from U–Pb geochronology of detrital monazite by Yang, Xiong, Pi, Qiaohui, Lu, Di, Yu, Huidong

“…The tectonic affinity of South China in paleogeographic reconstructions of the Gondwana supercontinent during the Early Paleozoic remains controversial. Here,…”
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Importance of Incorporating Protein Flexibility in Molecule Modeling: A Theoretical Study on Type I1/2 NIK Inhibitors by Shen, Chao, Liu, Hui, Wang, Xuwen, Lei, Tailong, Wang, Ercheng, Xu, Lei, Yu, Huidong, Li, Dan, Yao, Xiaojun

“…NF-κB inducing kinase (NIK), which is considered as the central component of the non-canonical NF-κB pathway, has been proved to be an important target for the…”
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Recent developments of in silico predictions of oral bioavailability by Zhu, Jingyu, Wang, Junmei, Yu, Huidong, Li, Youyong, Hou, Tingjun

“…Unfavorable oral bioavailability is an important reason accounting for the failure of the drug candidates. Considering the lack of in vitro high-throughput…”
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A Novel ShK-Like Toxic Peptide from the Transcriptome of the Cnidarian Palythoa caribaeorum Displays Neuroprotection and Cardioprotection in Zebrafish by Liao, Qiwen, Gong, Guiyi, Siu, Shirley Weng In, Wong, Clarence Tsun Ting, Yu, Huidong, Tse, Yu Chung, Rádis-Baptista, Gandhi, Lee, Simon Ming-Yuen

“…(class Anthozoa) is a zoantharian which, together with other cnidarians, like jellyfishes, hydra, and sea anemones, possesses specialized structures in its…”
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Combating Drug-Resistant Mutants of Anaplastic Lymphoma Kinase with Potent and Selective Type‑I1/2 Inhibitors by Stabilizing Unique DFG-Shifted Loop Conformation by Pan, Peichen, Yu, Huidong, Liu, Qinglan, Kong, Xiaotian, Chen, Hu, Chen, Jiean, Liu, Qi, Li, Dan, Kang, Yu, Sun, Huiyong, Zhou, Wenfang, Tian, Sheng, Cui, Sunliang, Zhu, Feng, Li, Youyong, Huang, Yong, Hou, Tingjun

“…Targeted inhibition of anaplastic lymphoma kinase (ALK) dramatically improved therapeutic outcomes in the treatment of ALK-positive cancers, but unfortunately…”
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Insight into the structural requirements of narlaprevir-type inhibitors of NS3/NS4A protease based on HQSAR and molecular field analyses by Zhu, Jingyu, Li, Youyong, Yu, Huidong, Zhang, Liling, Mao, Xinliang, Hou, Tingjun

“…In the life cycle of hepatitis C virus (HCV), NS3/NS4A protease has been proved to play a vital role in the replication of the HCV virus. Narlaprevir and its…”
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Amine‐Triggered 6π‐Electrocyclization–Aromatization Cascade of Ynedienamines by Li, Xijian, Yu, Huidong, Huang, Yong

“…An unprecedented 6π‐electrocyclization–aromatization cascade reaction of ynedienamines is described. The electron‐rich ynedienamine is converted by…”
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Reprocessable Supramolecular Elastomers of Poly(Siloxane–Urethane) via Self‐Complementary Quadruple Hydrogen Bonding by Ma, Xiyang, Zhou, Debo, Liu, Lei, Wang, Linlin, Yu, Huidong, Li, Lei, Feng, Shengyu

“…Supramolecular silicone materials are promising candidates toward sustainable and recyclable applications. Herein, quadruple hydrogen bond motifs are…”
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Amine-Triggered 6[pi]-Electrocyclization-Aromatization Cascade of Ynedienamines by Li, Xijian, Yu, Huidong, Huang, Yong

“…An unprecedented 6π-electrocyclization-aromatization cascade reaction of ynedienamines is described. The electron-rich ynedienamine is converted by…”
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Communication between the Ligand-Binding Pocket and the Activation Function‑2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations by Jin, Ye, Duan, Mojie, Wang, Xuwen, Kong, Xiaotian, Zhou, Wenfang, Sun, Huiyong, Liu, Hui, Li, Dan, Yu, Huidong, Li, Youyong, Hou, Tingjun

“…Androgen receptor (AR), as a member of the nuclear receptor (NR) superfamily, regulates the gene transcription in response to the sequential binding of diverse…”
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Application of multiphoton photoluminescence in characterization of GaN dislocations by Yu, Huidong, Wang, Guodong, Wang, Shouzhi, Liu, Lei, Wang, Zhongxin, Li, Qiubo, Zhao, Xuanyi, Yu, Jiaoxian, Xu, Xiangang, Zhang, Lei

“…As one of the third-generation semiconductors, gallium nitride (GaN) materials have become a hot spot of research at home and abroad due to its unique…”
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