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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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The <t>3-dimensional</t> <t>(3D)</t> docking pose and 2-dimensional <t>(2D)</t> interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).
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Image Search Results


The 3-dimensional (3D) docking pose and 2-dimensional (2D) interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).

Journal: Biomaterials Research

Article Title: In Silico Target Discovery of Kaempferol: Therapeutic Effect of Kaempferol on Atopic Dermatitis through Regulation of Aryl Hydrocarbon Receptor

doi: 10.34133/bmr.0270

Figure Lengend Snippet: The 3-dimensional (3D) docking pose and 2-dimensional (2D) interaction diagrams of KF with potential targets. (A to E) Interactions between KF and associated residues in the interface of arachidonate 5-lipoxygenase (ALOX5; Protein Data Bank [PDB] ID: 3O8Y), carbonic anhydrase 2 (CA2; PDB ID: 1A42), carbonic anhydrase 12 (CA12; PDB ID: 1JCZ), ATP binding cassette subfamily B member 1 (ABCB1; PDB ID: 7OTI), and AhR proteins (PDB ID: 7VNA) were generated using Discovery Studio (v21.1, Dassault Systèmes, San Diego, CA, USA). (E) KF interactions with AhR interface residues (PDB ID: 7VNA). (F) HaCaT cells were seeded at 5 × 10 3 cells/ml, cultured for 24 h, and then treated with the indicated concentrations of KF (20 and 40 μM), and then the messenger RNA (mRNA) levels of the indicated genes were evaluated using real-time quantitative polymerase chain reaction (qPCR). The results represent the mean ± SD of 3 independent experiments ( n = 3). * P < 0.05 versus the control group (KF 0 μM).

Article Snippet: The 2D interaction graphics and 3D docking poses were displayed using BIOVIA Discovery Studio v21.1 (Dassault Systèmes, San Diego, CA, USA).

Techniques: Binding Assay, Generated, Cell Culture, Real-time Polymerase Chain Reaction, Control