Qing‐Chuan Zheng
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View article: Theoretical Study on the Metabolic Mechanism of Heptachlor in Human Cytochrome P450 Enzymes
Theoretical Study on the Metabolic Mechanism of Heptachlor in Human Cytochrome P450 Enzymes Open
Heptachlor (HEP) is an insecticide metabolized by cytochrome P450 (CYP) enzymes in the human liver, resulting in the formation of heptachlor epoxide (HEPX). HEPX can persist in the human body for a long duration. Therefore, it can be extre…
View article: Mechanism of 7h-Dibenzo[C,G]Carbazole Metabolism in Cytochrome P450 1A1: Insights from Computational Studies
Mechanism of 7h-Dibenzo[C,G]Carbazole Metabolism in Cytochrome P450 1A1: Insights from Computational Studies Open
View article: Determining Uncertainties Associated With Retrieved AOD Based on the Dark Object Method: A Case Study With GF-1/WFV Satellite Data
Determining Uncertainties Associated With Retrieved AOD Based on the Dark Object Method: A Case Study With GF-1/WFV Satellite Data Open
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 dark underlying scenes, such as dark vegetation or shadowed areas, is widely applie…
View article: Theoretical Study on the Metabolic Mechanism of Heptachlor in Human Cytochrome P450 Enzymes
Theoretical Study on the Metabolic Mechanism of Heptachlor in Human Cytochrome P450 Enzymes Open
View article: Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5
Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5 Open
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 active site are different, which directly leads to obvious individual differences…
View article: <scp>d</scp> -lactate modulates M2 tumor-associated macrophages and remodels immunosuppressive tumor microenvironment for hepatocellular carcinoma
<span>d</span> -lactate modulates M2 tumor-associated macrophages and remodels immunosuppressive tumor microenvironment for hepatocellular carcinoma Open
The polarization of tumor-associated macrophages (TAMs) from M2 to M1 phenotype demonstrates great potential for remodeling the immunosuppressive tumor microenvironment (TME) of hepatocellular carcinoma (HCC). d -lactate (DL; a gut microbi…
View article: The Important Role of Transporter Structures in Drug Disposition, Efficacy, and Toxicity
The Important Role of Transporter Structures in Drug Disposition, Efficacy, and Toxicity Open
View article: A Lightweight and High-Accuracy Deep Learning Method for Grassland Grazing Livestock Detection Using UAV Imagery
A Lightweight and High-Accuracy Deep Learning Method for Grassland Grazing Livestock Detection Using UAV Imagery Open
Unregulated livestock breeding and grazing can degrade grasslands and damage the ecological environment. The combination of remote sensing and artificial intelligence techniques is a more convenient and powerful means to acquire livestock …
View article: Predicting a Kind of Unusual Multiple-States Dimerization-Modes Transformation in Protein PD-L1 System by Computational Investigation and a Generalized Rate Theory
Predicting a Kind of Unusual Multiple-States Dimerization-Modes Transformation in Protein PD-L1 System by Computational Investigation and a Generalized Rate Theory Open
The new cancer immunotherapy has been carried out with an almost messianic zeal, but its molecular basis remains unclear due to the complexity of programmed death ligand 1 (PD-L1) dimerization. In this study, a new and integral multiple di…
View article: Studies of Interaction Mechanism between Pyrido [3,4-d] Pyrimidine Inhibitors and Mps1
Studies of Interaction Mechanism between Pyrido [3,4-d] Pyrimidine Inhibitors and Mps1 Open
Monopolar spindle 1 (Mps1), a dual-specific kinase, is related to the proper execution of chromosome biorientation and mitotic checkpoint signaling. The overexpression of Mps1 promotes the occurrence of cancer or the survival of aneuploid …
View article: Exploring the Allosteric Mechanism of Src Homology-2 Domain-Containing Protein Tyrosine Phosphatase 2 (SHP2) by Molecular Dynamics Simulations
Exploring the Allosteric Mechanism of Src Homology-2 Domain-Containing Protein Tyrosine Phosphatase 2 (SHP2) by Molecular Dynamics Simulations Open
The Src homology-2 (SH2) domain-containing protein tyrosine phosphatase 2 (SHP2, encoded by PTPN11 ) is a critical allosteric phosphatase for many signaling pathways. Programmed cell death 1 (PD-1) could be phosphorylated at its immunorece…
View article: Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51
Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51 Open
The sterol 14α demethylase enzyme (CYP51) is an important target of fungal infections. However, the molecular mechanism between triazoles inhibitors and CYP51 remains obscure. In this study, we have investigated the binding mechanism and t…
View article: Purified Vitexin Compound 1 Inhibits UVA-Induced Cellular Senescence in Human Dermal Fibroblasts by Binding Mitogen-Activated Protein Kinase 1
Purified Vitexin Compound 1 Inhibits UVA-Induced Cellular Senescence in Human Dermal Fibroblasts by Binding Mitogen-Activated Protein Kinase 1 Open
Purified vitexin compound 1 (VB1), a novel lignanoid isolated from the seeds of the Chinese herb Vitex negundo, has strong antioxidant abilities and broad antitumor activities. However, little is known about its anti-photoaging effect on t…
View article: Fosfomycin Protects Mice From Staphylococcus aureus Pneumonia Caused by α-Hemolysin in Extracellular Vesicles by Inhibiting MAPK-Regulated NLRP3 Inflammasomes
Fosfomycin Protects Mice From Staphylococcus aureus Pneumonia Caused by α-Hemolysin in Extracellular Vesicles by Inhibiting MAPK-Regulated NLRP3 Inflammasomes Open
α-Hemolysin (Hla) is a significant virulence factor in Staphylococcus aureus (S. aureus)-caused infectious diseases such as pneumonia. Thus, to prevent the production of Hla when treating S. aureus infection, it is nec…
View article: CCDC 1888248: Experimental Crystal Structure Determination
CCDC 1888248: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888253: Experimental Crystal Structure Determination
CCDC 1888253: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888254: Experimental Crystal Structure Determination
CCDC 1888254: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888246: Experimental Crystal Structure Determination
CCDC 1888246: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888249: Experimental Crystal Structure Determination
CCDC 1888249: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888250: Experimental Crystal Structure Determination
CCDC 1888250: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888252: Experimental Crystal Structure Determination
CCDC 1888252: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888251: Experimental Crystal Structure Determination
CCDC 1888251: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1888247: Experimental Crystal Structure Determination
CCDC 1888247: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Optimization of a MT1-MMP-targeting Peptide and Its Application in Near-infrared Fluorescence Tumor Imaging
Optimization of a MT1-MMP-targeting Peptide and Its Application in Near-infrared Fluorescence Tumor Imaging Open
Membrane type 1 metalloproteinase (MT1-MMP) is an important regulator of cancer invasion, growth and angiogenesis, thus making it an attractive target for cancer imaging and therapy. A non-substrate peptide (MT1-AF7p) that bonded to the “M…
View article: Disulfide Bond Bridge Insertion Turns Hydrophobic\nAnticancer Prodrugs into Self-Assembled Nanomedicines
Disulfide Bond Bridge Insertion Turns Hydrophobic\nAnticancer Prodrugs into Self-Assembled Nanomedicines Open
It\nis commonly observed that hydrophobic molecules alone cannot\nself-assemble into stable nanoparticles, requiring amphiphilic or\nionic materials to support nanoparticle stability and function in\nvivo. We report herein newly self-assem…