Search Results - "Shi, Danfeng"

Studies of the Mechanism of Nucleosome Dynamics: A Review on Multifactorial Regulation from Computational and Experimental Cases by Shi, Danfeng, Huang, Yuxin, Bai, Chen

“…The nucleosome, which organizes the long coil of genomic DNA in a highly condensed, polymeric way, is thought to be the basic unit of chromosomal structure. As…”
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A predicted structure of NADPH Oxidase 1 identifies key components of ROS generation and strategies for inhibition by Liu, Yezhou, Liang, Shiyu, Shi, Danfeng, Zhang, Yue, Bai, Chen, Ye, Richard D

“…NADPH oxidase 1 (NOX1) is primarily expressed in epithelial cells and responsible for local generation of reactive oxygen species (ROS). By specifically…”
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Design, synthesis, and biological evaluation of quinazolin-4(3H)-one derivatives co-targeting poly(ADP-ribose) polymerase-1 and bromodomain containing protein 4 for breast cancer therapy by Chang, Xiaosa, Sun, Dejuan, Shi, Danfeng, Wang, Guan, Chen, Yanmei, Zhang, Kai, Tan, Huidan, Liu, Jie, Liu, Bo, Ouyang, Liang

“…This study was aimed to design the first dual-target small-molecule inhibitor co-targeting poly (ADP-ribose) polymerase-1 (PARP1) and bromodomain containing…”
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Post-abortion needs-based education via the WeChat platform to lessen fear and encourage effective contraception: a post-abortion care service intervention-controlled trial by Shi, Danfeng, Liu, Chenyin, Huang, Lingna, Chen, Xiao-Qian

“…Our study aims to investigate post-abortion needs-based education via the WeChat platform for women who had intended abortion in the first trimester, whether…”
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Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assays by Ge, Huizhen, Mao, Longfei, Zhao, Jie, Wang, Yuwei, Shi, Danfeng, Yang, Xing, Wang, Xiaorui, Liu, Huanxiang, Yao, Xiaojun

“…Indoleamine 2,3-dioxygenase 1 (IDO1) is a heme-containing enzyme that catalyzes the first and rate-limiting step in catabolism of tryptophan via the kynurenine…”
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Correction: Post-abortion needs-based education via the WeChat platform to lessen fear and encourage effective contraception: a post-abortion care service intervention-controlled trial by Shi, Danfeng, Liu, Chenyin, Huang, Lingna, Chen, Xiao-Qian

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Discovery of novel anti-tumor compounds targeting PARP-1 with induction of autophagy through in silico and in vitro screening by Shi, Danfeng, Pang, Qianqian, Qin, Qianyu, Yao, Xinsheng, Yao, Xiaojun, Yu, Yang

“…Poly (ADP-ribose) polymerase 1 (PARP-1) is a critical enzyme involved in DNA damage repair and recombination, and shows great potential for drug development in…”
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Catalytic mechanism study of ATP-citrate lyase during citryl-CoA synthesis process by Shi, Danfeng, Zhu, Xiaohong, Zhang, Honghui, Yan, Junfang, Bai, Chen

“…ATP-citrate lyase (ACLY) is a critical metabolic enzyme and promising target for drug development. The structure determinations of ACLY have revealed its…”
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Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship by Shi, Danfeng, An, Xiaoli, Bai, Qifeng, Bing, Zhitong, Zhou, Shuangyan, Liu, Huanxiang, Yao, Xiaojun

“…Recently, small-molecule compounds have been reported to block the PD-1/PD-L1 interaction by inducing the dimerization of PD-L1. All these inhibitors had a…”
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Application of Coarse-Grained (CG) Models to Explore Conformational Pathway of Large-Scale Protein Machines by Shi, Danfeng, An, Ke, Zhang, Honghui, Xu, Peiyi, Bai, Chen

“…Protein machines are clusters of protein assemblies that function in order to control the transfer of matter and energy in cells. For a specific protein…”
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Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations by Niu, Yuzhen, Pan, Dabo, Shi, Danfeng, Bai, Qifeng, Liu, Huanxiang, Yao, Xiaojun

“…As a promising target for the treatment of lung cancer, the MutT Homolog 1 (MTH1) protein can be inhibited by crizotinib. A recent work shows that the…”
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Ligand induced change of β2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis by Bai, Qifeng, Pérez-Sánchez, Horacio, Zhang, Yang, Shao, Yonghua, Shi, Danfeng, Liu, Huanxiang, Yao, Xiaojun

“…The reported crystal structures of β2 adrenergic receptor (β2AR) reveal that the open and closed states of the water channel are correlated with the inactive…”
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Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis by Shi, Danfeng, Liu, Lingxian, Li, Haibo, Pan, Dabo, Yao, Xiaojun, Xiao, Wei, Yao, Xinsheng, Yu, Yang

“…Chronic superficial gastritis (CSG) is a common disease of the digestive system that possesses a serious pathogenesis. Jinhong tablet (JHT), a traditional…”
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Integrating network pharmacology and experimental verification to decipher the immunomodulatory effect of Bu-Zhong-Yi-Qi-Tang against poly (I:C)-induced pulmonary inflammation by Hu, Liufang, Yamamoto, Marina, Chen, Jiali, Duan, Huifang, Du, Jing, He, Liangliang, Shi, Danfeng, Yao, Xinsheng, Nagai, Takayuki, Kiyohara, Hiroaki, Yao, Zhihong

“…Pulmonary inflammation caused by respiratory tract viral infections is usually associated with acute exacerbation of respiratory diseases, such as asthma and…”
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Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation by An, Xiaoli, Bai, Qifeng, Bai, Fang, Shi, Danfeng, Liu, Huanxiang, Yao, Xiaojun

“…The smoothened receptor (Smo) plays a key role in Hedgehog (Hh) signaling pathway and it has been regarded as an efficacious therapeutic target for basal cell…”
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Investigate the mechanisms of Chinese medicine Fuzhengkangai towards EGFR mutation-positive lung adenocarcinomas by network pharmacology by Bing, Zhitong, Cheng, Zhiyuan, Shi, Danfeng, Liu, Xinkui, Tian, Jinhui, Yao, Xiaojun, Zhang, Jingyun, Wang, Yongfeng, Yang, Kehu

“…Chinese traditional herbal medicine Fuzhengkangai (FZKA) formulation combination with gefitinib can overcome drug resistance and improve the prognosis of lung…”
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Molecular dynamics simulations and novel drug discovery by Liu, Xuewei, Shi, Danfeng, Zhou, Shuangyan, Liu, Hongli, Liu, Huanxiang, Yao, Xiaojun

“…Molecular dynamics (MD) simulations can provide not only plentiful dynamical structural information on biomacromolecules but also a wealth of energetic…”
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Structure-Guided Design of a Small-Molecule Activator of Sirtuin‑3 that Modulates Autophagy in Triple Negative Breast Cancer by Zhang, Jin, Zou, Ling, Shi, Danfeng, Liu, Jie, Zhang, Jifa, Zhao, Rongyan, Wang, Guan, Zhang, Lan, Ouyang, Liang, Liu, Bo

“…Sirtuin-3 (SIRT3) is an NAD+-dependent protein deacetylase localized primarily in the mitochondria with many links to different types of human cancers…”
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Structural Modification of Aminophenylarsenoxides Generates Candidates for Leukemia Treatment via Thioredoxin Reductase Inhibition by Song, Zi-Long, Zhang, Junmin, Xu, Qianhe, Shi, Danfeng, Yao, Xiaojun, Fang, Jianguo

“…Upregulation of the selenoprotein thioredoxin reductase (TrxR) is of pathological significance in maintaining tumor phenotypes. Thus, TrxR inhibitors are…”
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Exploring the activation mechanism of metabotropic glutamate receptor 2 by Zhu, Xiaohong, Luo, Mengqi, An, Ke, Shi, Danfeng, Hou, Tingjun, Warshel, Arieh, Bai, Chen

“…Homomeric dimerization of metabotropic glutamate receptors (mGlus) is essential for the modulation of their functions and represents a promising avenue for the…”
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