Search Results - "Zheng, QingChuan"

The Potential of Cyclodextrins as Inhibitors for the BM2 Protein: An In Silico Investigation by Liu, Aijun, Zhang, Hao, Zheng, Qingchuan, Wang, Song

“…The influenza BM2 transmembrane domain ( ), an acid-activated proton channel, is an attractive antiviral target due to its essential roles during influenza…”
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VARIDT 2.0: structural variability of drug transporter by Fu, Tingting, Li, Fengcheng, Zhang, Yang, Yin, Jiayi, Qiu, Wenqi, Li, Xuedong, Liu, Xingang, Xin, Wenwen, Wang, Chengzhao, Yu, Lushan, Gao, Jianqing, Zheng, Qingchuan, Zeng, Su, Zhu, Feng

“…Abstract The structural variability data of drug transporter (DT) are key for research on precision medicine and rational drug use. However, these valuable…”
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Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5 by Liu, Shuhui, Zheng, Qingchuan, Bai, Fuquan

“…CYP 3A4 and CYP 3A5 are two important members of the human cytochrome P450 family. Although their overall structures are similar, the local structures of the…”
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Disulfide Bond Bridge Insertion Turns Hydrophobic Anticancer Prodrugs into Self-Assembled Nanomedicines by Wang, Yongjun, Liu, Dan, Zheng, Qingchuan, Zhao, Qiang, Zhang, Hongjuan, Ma, Yan, Fallon, John K, Fu, Qiang, Haynes, Matthew T, Lin, Guimei, Zhang, Rong, Wang, Dun, Yang, Xinggang, Zhao, Linxiang, He, Zhonggui, Liu, Feng

“…It is commonly observed that hydrophobic molecules alone cannot self-assemble into stable nanoparticles, requiring amphiphilic or ionic materials to support…”
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Multiple Molecular Dynamics Simulations and Energy Analysis Unravel the Dynamic Properties and Binding Mechanism of Mutants HIV-1 Protease with DRV and CA-p2 by Wang, Ruige, Zheng, Qingchuan

“…PR , a variant of human immunodeficiency virus type I protease (HIV-1 PR), has 17 mutated residues showing high levels of multidrug resistance. To describe the…”
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Novel Anthraquinone-Based Benzenesulfonamide Derivatives and Their Analogues as Potent Human Carbonic Anhydrase Inhibitors with Antitumor Activity: Synthesis, Biological Evaluation, and In Silico Analysis by Wu, Shanshan, Zhou, Xiaoping, Li, Fei, Sun, Wei, Zheng, Qingchuan, Liang, Di

“…In this study, we designed two series of novel anthraquinone-based benzenesulfonamide derivatives and their analogues as potential carbonic anhydrase…”
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Studies of Interaction Mechanism between Pyrido [3,4-d] Pyrimidine Inhibitors and Mps1 by Xing, Cheng, Zhou, Xiaoping, Chen, Chengjuan, Sun, Wei, Zheng, Qingchuan, Liang, Di

“…Monopolar spindle 1 (Mps1), a dual-specific kinase, is related to the proper execution of chromosome biorientation and mitotic checkpoint signaling. The…”
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Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51 by Shi, Na, Zheng, Qingchuan, Zhang, Hongxing

“…The sterol 14α demethylase enzyme (CYP51) is an important target of fungal infections. However, the molecular mechanism between triazoles inhibitors and CYP51…”
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A Lightweight and High-Accuracy Deep Learning Method for Grassland Grazing Livestock Detection Using UAV Imagery by Wang, Yuhang, Ma, Lingling, Wang, Qi, Wang, Ning, Wang, Dongliang, Wang, Xinhong, Zheng, Qingchuan, Hou, Xiaoxin, Ouyang, Guangzhou

“…Unregulated livestock breeding and grazing can degrade grasslands and damage the ecological environment. The combination of remote sensing and artificial…”
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Determining Uncertainties Associated With Retrieved AOD Based on the Dark Object Method: A Case Study With GF-1/WFV Satellite Data by Yang, Ruoxi, Ma, Lingling, Zhao, Yongguang, Lu, Xin, Wang, Renfei, Li, Wan, Zhang, Beibei, Han, Qijin, Lan, Qiongqiong, Zheng, Qingchuan, Hou, Xiaoxin, Zhao, Jianghong, Zhou, Xiang

“…The retrieval of aerosol optical depth (AOD) from remote sensing data using the dark object (DO) method, which utilizes the measured radiance in areas with…”
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Fosfomycin Protects Mice From Staphylococcus aureus Pneumonia Caused by α-Hemolysin in Extracellular Vesicles by Inhibiting MAPK-Regulated NLRP3 Inflammasomes by An, Yanan, Wang, Yang, Zhan, Jiuyu, Tang, Xudong, Shen, Keshu, Shen, Fengge, Wang, Chao, Luan, Wenjing, Wang, Xuefei, Wang, Xueyan, Liu, Mingyuan, Zheng, Qingchuan, Yu, Lu

“…α-Hemolysin (Hla) is a significant virulence factor in ( )-caused infectious diseases such as pneumonia. Thus, to prevent the production of Hla when treating…”
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Purified Vitexin Compound 1 Inhibits UVA-Induced Cellular Senescence in Human Dermal Fibroblasts by Binding Mitogen-Activated Protein Kinase 1 by Wang, Ben, Yan, Sha, Yi, Yuxin, Huang, Yingxue, Deng, Zhili, Zhang, Yiya, Zheng, Qingchuan, Xie, Hongfu, Li, Ji

“…Purified vitexin compound 1 (VB1), a novel lignanoid isolated from the seeds of the Chinese herb Vitex negundo, has strong antioxidant abilities and broad…”
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How Mutations Affecting the Ligand-receptor Interactions： a Combined MD and QM/MM Calculation on CYP2E1 and Its Two Mutants by Wang, Yan, Zheng, Qingchuan, Zhang, Jilong, Xie, Mo, Zhan, Jiuyu, Zhang, Hongxing

“…Cytochrome P450（CYP） 2El is a dual function monoxygenase with a crucial role in the metabolism of 6% of drugs on the market at present. The enzyme is of…”
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Mechanism of 7H-Dibenzo[c,g]carbazole metabolism in cytochrome P450 1A1: Insights from computational studies by Feng, Shi, Zheng, Qingchuan

“…7H-Dibenzo[c,g]carbazole (DBC) is a prevalent environmental contaminant that induces tumorigenesis in several experimental animals. Recently, it has been…”
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Insights into the specific feature of the electrostatic recognition binding mechanism between BM2 and BM1: a molecular dynamics simulation study by Xing, Guixuan, Zheng, Qingchuan

“…Matrix protein 2 (M2) and matrix protein 1 (M1) of the influenza B virus are two important proteins, and the interactions between BM2 and BM1 play an important…”
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Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV‑1 Protease Reveal the Binding and Drug-Resistance Mechanism by Wang, Ruige, Zheng, Qingchuan

“…Human immunodeficiency virus type 1 (HIV-1) protease is regarded as a fascinating target for drug development against HIV infection. However, mutations causing…”
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Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV‑1 Protease against Inhibitors Darunavir and KNI-1657 by Wang, Ruige, Zheng, Qingchuan

“…HIV-1 protease (PR) is considered to be the main targets of anti-AIDS drug design because of its role in the proteolytic processing of viral polyproteins…”
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Insights into the binding mechanism between α‐TOH and CYP4F2: A homology modeling, molecular docking, and molecular dynamics simulation study by Liang, Leilei, Zheng, Qingchuan

“…α‐Tocopherol (α‐TOH) is a potent antioxidant. The concentrations of α‐TOH in plasma are closely related to human health. α‐TOH can be regulated by the…”
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Theoretical investigation on binding process of allophanate to allophanate hydrolase by Zhang, Zidong, Zhang, Jilong, Zheng, Qingchuan, Kong, Chuipeng, Li, Zhengqiang, Zhang, Hongxing, Ma, Jianzhang

“…Several molecular simulation methods were integrated to investigate the detailed binding process of allophanate to allophanate hydrolase and predict their…”
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A molecular dynamics and computational study of human KAT3 involved in KYN pathway by Xu, Yu, Zheng, QingChuan, Yu, LiYing, Zhang, HongXing, Sun, ChiaChung

“…Kynurenine aminotransferases （KATs） catalyze the transamination of kynurenine （KYN） pathway and endogenous KYNs have been suggested to highly correlate to…”
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