Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: Molecular clustering diagram. The diagram shows three clusters of small molecules: the first cluster is green representing Sitogluside, the second cluster is brown representing Kaempferol, and the third cluster is gray representing Nuciferin.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: The Venn diagram illustrates the shared intersection genes between lotus leaf small molecules and obesity disease. (A) The number of shared intersection genes between Sitogluside and obesity disease is 13. (B) The number of shared genes between Kaempferol and obesity disease is 48. (C) The number of shared intersection genes between Nuciferin and obesity disease is 39.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: The diagram illustrates protein interactions involved in lotus leaf treatment of obesity. (A) Top 10 gene interactions of Sitogluside. (B) Top 10 gene interactions of Kaempferol. (C) Top 10 gene interactions of Nuciferin.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: The results presented are based on the GO (A) and KEGG (B) pathway enrichment analyses of intersection genes between Sitogluside and obesity.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: Compound_name and docking energy results.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: Docking results of PPARG with two active compounds from lotus Leaf. (A) Interaction between sitogluside and PPARG. (B) Interaction between cycloartenol and PPARG.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: Secondary structure analysis of the protein in three systems. (A) Apo (B) Sitogluside (C) Cycloartenol.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: PCA analysis of the three systems. (A) Apo. (B) Sitogluside (C) Cycloartenol. Covariance matrix analysis of three systems. (D) Apo. (E) Sitogluside (F) Cycloartenol.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: The result of MM-PBSA.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: MM-PBSA energy contribution and hydrogen bonds. (A) Sitogluside (B) Cycloartenol.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques:

Journal: Frontiers in Pharmacology

Article Title: Investigating the anti-obesity potential of Nelumbo nucifera leaf bioactive compounds through machine learning and computational biology methods

doi: 10.3389/fphar.2024.1500865

Figure Lengend Snippet: Effects of Sitogluside on Lipid Accumulation and Triglyceride Levels in 3T3-L1 Cells. (A–C) Representative microscopy images of 3T3-L1 cells stained with Oil Red O showing lipid accumulation at Sitogluside concentrations of 0 µM (A) , 5 µM (B) , and 10 µM (C) . (D) Graph illustrating the percentage of lipid accumulation in 3T3-L1 cells at different concentrations of Sitogluside. A clear dose-dependent decrease in lipid accumulation is observed. (E) Optical density (OD) at 490 nm of extracted dye from Oil Red O staining, demonstrating decreased lipid content with increasing concentrations of Sitogluside. (F) Triglyceride (TG) concentration measured in µmol/L, showing a significant reduction in triglyceride levels as the concentration of Sitogluside increases.

Article Snippet: Sitogluside was obtained from TargetMol.

Techniques: Microscopy, Staining, Concentration Assay

Journal: Bioengineered

Article Title: An extraction from Trametes robiniophila Murr. ( Huaier ) inhibits non-small cell lung cancer proliferation via targeting to epidermal growth factor receptor

doi: 10.1080/21655979.2022.2066757

Figure Lengend Snippet: Virtual verification of Huaier targets by molecular docking. (a) Maestro 2D interactions between EGFR and gefitinib, adenosine, daucosterol, ergosterol, ergosta-7,22-dien-3β-ol and 3β-hydroxystigmast-5,22-dien-7-one. Residues in green spheres are hydrophobic, blue spheres are polar, red spheres are negatively charged, purple spheres are charged and light yellow spheres are glycine. The purple arrows and their directions represent hydrogen bonds between the ligand and the protein. The green line represents the π-π stacking arrangement seen between the aromatic core. (b) We conducted kinase activity assays to validate Huaier ’s inhibition on EGFR kinase activity. Staurosporine, an effective PKC inhibitor, was chosen as positive control. (c) Cells were conducted by CETSAs, and the protein expression of EGFR was detected by western blot analysis. The line chart showed the relative expression level of EGFR.

Article Snippet: Gefitinib and Daucosterol were both purchased from MCE (HY-50895; HY-N0410).

Techniques: Activity Assay, Inhibition, Positive Control, Expressing, Western Blot

Journal: BioMed Research International

Article Title: Exploring the Antitumor Mechanisms of Zingiberis Rhizoma Combined with Coptidis Rhizoma Using a Network Pharmacology Approach

doi: 10.1155/2020/8887982

Figure Lengend Snippet: Top 10 molecular docking terms identified by AutoDock Vina.

Article Snippet: Berberine (CAS: 2086-83-1), quercetin (CAS: 117-39-5), and daucosterol (CAS: 474-58-8) were purchased from Solarbio (Beijing, China), and ginkgetin (CAS: 481-46-9) and isoginkgetin (CAS: 548-19-6) were purchased from MedChemExpress (Shanghai, China).

Techniques: Protein Binding

Journal: BioMed Research International

Article Title: Exploring the Antitumor Mechanisms of Zingiberis Rhizoma Combined with Coptidis Rhizoma Using a Network Pharmacology Approach

doi: 10.1155/2020/8887982

Figure Lengend Snippet: Affinity test between component and tumor target using surface plasmon resonance (SPR) assay.

Article Snippet: Berberine (CAS: 2086-83-1), quercetin (CAS: 117-39-5), and daucosterol (CAS: 474-58-8) were purchased from Solarbio (Beijing, China), and ginkgetin (CAS: 481-46-9) and isoginkgetin (CAS: 548-19-6) were purchased from MedChemExpress (Shanghai, China).

Techniques: SPR Assay, Concentration Assay

Journal: BioMed Research International

Article Title: Exploring the Antitumor Mechanisms of Zingiberis Rhizoma Combined with Coptidis Rhizoma Using a Network Pharmacology Approach

doi: 10.1155/2020/8887982

Figure Lengend Snippet: Relative response value of affinity test between (a) AKT1 and berberine, (b) TP53 and berberine, (c) EGFR and quercetin, (d) VEGF165 and ginkgetin, (e) VEGF165 and isoginkgetin, (f) VEGF165 and daucosterol, and (g) VEGF165 and quercetin by surface plasmon resonance assay.

Article Snippet: Berberine (CAS: 2086-83-1), quercetin (CAS: 117-39-5), and daucosterol (CAS: 474-58-8) were purchased from Solarbio (Beijing, China), and ginkgetin (CAS: 481-46-9) and isoginkgetin (CAS: 548-19-6) were purchased from MedChemExpress (Shanghai, China).

Techniques: SPR Assay

Journal: Evidence-based Complementary and Alternative Medicine : eCAM

Article Title: Discovery of a Novel ERp57 Inhibitor as Antiplatelet Agent from Danshen (Salvia miltiorrhiza)

doi: 10.1155/2018/9387568

Figure Lengend Snippet: Structures of rosmarinic acid and daucosterol selected from virtual screening for pharmacological validation.

Article Snippet: Daucosterol (purity > 98% by HPLC) was obtained from Baoji Chenguang Biotechnology Company (Baoji, China).

Techniques: Biomarker Discovery

Journal: Evidence-based Complementary and Alternative Medicine : eCAM

Article Title: Discovery of a Novel ERp57 Inhibitor as Antiplatelet Agent from Danshen (Salvia miltiorrhiza)

doi: 10.1155/2018/9387568

Figure Lengend Snippet: Docked poses of rosmarinic acid and daucosterol with ERp57. The left diagram represents the three-dimensional (3D) model of ERp57. The space-filling model in domains (a) and (a′) indicates the catalytic residues CGHC on the left. The enlarged figures of the right side show the interaction between ERp57 and rosmarinic acid (top right) or daucosterol (bottom right). The green mode of ball and stick represents rosmarinic acid or daucosterol and the crystal structure of ERp57 domain with each monomer presented in ribbon diagram. Hydrogen bonding is shown as light blue dashed line.

Article Snippet: Daucosterol (purity > 98% by HPLC) was obtained from Baoji Chenguang Biotechnology Company (Baoji, China).

Techniques:

Journal: Evidence-based Complementary and Alternative Medicine : eCAM

Article Title: Discovery of a Novel ERp57 Inhibitor as Antiplatelet Agent from Danshen (Salvia miltiorrhiza)

doi: 10.1155/2018/9387568

Figure Lengend Snippet: Rosmarinic acid inhibited the catalytic activity of ERp57. Effects of rosmarinic acid and daucosterol at 3, 10, 30, 100, and 300 μ M on ERp57 activity, as determined by insulin reduction assay. Rosmarinic acid, but not daucosterol, inhibited the activity of ERp57 in a concentration-dependent manner.

Article Snippet: Daucosterol (purity > 98% by HPLC) was obtained from Baoji Chenguang Biotechnology Company (Baoji, China).

Techniques: Activity Assay, Insulin Reduction Assay, Concentration Assay

Journal: Molecular Pharmacology

Article Title: Insights into the Structure-Activity Relationship of Glycosides as Positive Allosteric Modulators Acting on P2X7 Receptors

doi: 10.1124/molpharm.120.000129

Figure Lengend Snippet: Structural details of tested glycosides Substitution pattern is derived from Fig. 1C . Maximum response was defined at 1 mM ATP. To calculate the EC 50 ratio, the average EC 50 value for ATP + vehicle was used from each set of experiments. Average EC 50 value is shown with 95% confidence intervals in parentheses.

Article Snippet: Ginsenoside-CK (CAS 39262-14-1), ginsenoside-Rb1 (CAS 41753-43-9), ginsenoside-Rd (CAS 52705-93-8), 20( S )-ginsenoside-Rg3 (CAS 14197-60-5), 20( R )-ginsenoside-Rh2 (CAS 112246-15-8), protopanaxadiol (PPD) (CAS 30636-90-9), glycyrrhizic acid (CAS 1405-86-3), stevioside (CAS 57817-89-7), daucosterol (CAS 474-58-8), esculentoside A (CAS 65497-07-6), mogroside V (CAS 88901-36-4), saikosaponin A (CAS 20736-09-8), and stevenleaf (CAS 80321-63-7) were from Shanghai Richem International Ltd., China (supplier code CDCMANSETE).

Techniques: Derivative Assay

Journal: Molecular Pharmacology

Article Title: Insights into the Structure-Activity Relationship of Glycosides as Positive Allosteric Modulators Acting on P2X7 Receptors

doi: 10.1124/molpharm.120.000129

Figure Lengend Snippet: Screening glycosides containing monosaccharide moieties at P2X7. Dose-response curves to ATP in the presence of vehicle (DMSO), ginsenoside-CK, and the following: daucosterol (10 µM) (A), stevioside (SV; 10 µM) (B), ginsenoside-F1 (F1; 10 µM) (C), ginsenoside-F2 (F2; 10 µM) (D), ouabain (10 µM) (E), or scilliroside (10 µM) (F). Ginsenoside-CK is demonstrated throughout as the reference compound (same data shown in each plot). Data are collated from three independent experiments each performed in triplicate. Error bars represent S.D.

Article Snippet: Ginsenoside-CK (CAS 39262-14-1), ginsenoside-Rb1 (CAS 41753-43-9), ginsenoside-Rd (CAS 52705-93-8), 20( S )-ginsenoside-Rg3 (CAS 14197-60-5), 20( R )-ginsenoside-Rh2 (CAS 112246-15-8), protopanaxadiol (PPD) (CAS 30636-90-9), glycyrrhizic acid (CAS 1405-86-3), stevioside (CAS 57817-89-7), daucosterol (CAS 474-58-8), esculentoside A (CAS 65497-07-6), mogroside V (CAS 88901-36-4), saikosaponin A (CAS 20736-09-8), and stevenleaf (CAS 80321-63-7) were from Shanghai Richem International Ltd., China (supplier code CDCMANSETE).

Techniques: