atp molecule  (Molecular Dynamics Inc)

Journal: Clinical and Translational Medicine

Article Title: Targeting KDM4 family epigenetically triggers antitumour immunity via enhancing tumour‐intrinsic innate sensing and immunogenicity

doi: 10.1002/ctm2.1598

Figure Lengend Snippet: JIB‐04 triggers DNA damage and immunogenic cell death of tumour cells. (A and B) Gene set enrichment analysis of differential expressed genes between the control and JIB‐04‐treated MC38 (A) or B16 (B) cells. (C and D) MC38 (C) and B16 (D) cells were treated with 2 μM JIB‐04 for 24 h, and the protein level of γH2A.X was determined by western blot. (E and F) Representative images and quantification of DNA comet assays in MC38 (E) and B16 (F) cells with JIB‐04 treatment. More than 100 cells were analysed in every group. Scale bar, 50 μm. (G) MC38, CT26, B16, Panc02 and CTIBA5 cells were treated with JIB‐04 at various concentrations for 24 h, and cell viability was determined by Cell Counting Kit‐8 (CCK‐8) assay. (H) Representative confocal images showing HMGB1 (green), mitochondria (red) and nuclei (blue) in MC38 cells after JIB‐04 treatment. Scale bar, 5 μm. (I) The intracellular protein levels of HMGB1 in MC38 and B16 cells were determined by western blot after JIB‐04 treatment. (J) The extracellular levels of HMGB1 (left) and ATP (right) were detected by enzyme‐linked immunosorbent assays (ELISA), and the extracellular expression of calreticulin (CRT) (middle) was detected by flow cytometry ( n = 4). (K) Scheme of in vivo tumour vaccination‐rechallenge model. Six‐week‐old female C57BL/6 mice were divided into three groups (phosphate‐buffered saline [PBS], n = 10; JIB‐04, n = 10; cisplatin, n = 12) and subcutaneously inoculated with MC38 cells treated with PBS, lethal doses of cisplatin or JIB‐04, respectively. After 7 days, live MC38 cells were injected into the contralateral flank of mice. (L) The percentage of tumour‐free mice (tumour volume less than 100 mm 3 ) was shown. Data are shown as mean ± SEM. p ‐Value was calculated by unpaired Student's t ‐test in (E), (F) and (J) or log‐rank test in (L) ( *** p < .001).

Article Snippet: After treatment with JIB‐04 for 24 h, cell supernatants were harvested to quantify the concentrations of HMGB1 (Elabscience, cat#E‐EL‐M0676c) and ATP (Beyotime Biotechnology, cat#S0026B) using enzyme‐linked immunosorbent assays (ELISA).

Techniques: Western Blot, Cell Counting, CCK-8 Assay, Enzyme-linked Immunosorbent Assay, Expressing, Flow Cytometry, In Vivo, Saline, Injection

Journal: PLOS ONE

Article Title: Mitoxantrone and abacavir: An ALK protein-targeted in silico proposal for the treatment of non-small cell lung cancer

doi: 10.1371/journal.pone.0295966

Figure Lengend Snippet: A) RMSD values of iALK in colors (ATP: blue, crizotinib: ccep, brigatinib: green, ceritinib: orange, alectinib: magenta and lorlatinib: yellow), in black RMSD-Cα values of cdALK + . B) RMSF-Cα values of cdALK + , the amino acid that interacting with the iALK are shown with perpendicular lines to x axis.

Article Snippet: The RMSD value of its ATP molecule and iALK drugs were also measured throughout the molecular dynamics ( ).

Techniques:

Journal: PLOS ONE

Article Title: Mitoxantrone and abacavir: An ALK protein-targeted in silico proposal for the treatment of non-small cell lung cancer

doi: 10.1371/journal.pone.0295966

Figure Lengend Snippet: Comparison of fold change in percentage (%) of the binding energy between cdALK + -iALK and cdALK + -FDA-approved drugs. Red color: Molecules exhibit lower binding energy than ATP (Inamrinone, Uracil mustard, Minoxidil); Magenta color: Molecules exhibit major binding energy than ATP (Abacavir, Riboflavin and Mitoxantrone); Green color: iALK exhibit major binding energy than ATP (Lorlatinib, Alectinib, Crizotinib, Brigatinib and Ceritinib).

Article Snippet: The RMSD value of its ATP molecule and iALK drugs were also measured throughout the molecular dynamics ( ).

Techniques: Comparison, Binding Assay

Journal: PLOS ONE

Article Title: Mitoxantrone and abacavir: An ALK protein-targeted in silico proposal for the treatment of non-small cell lung cancer

doi: 10.1371/journal.pone.0295966

Figure Lengend Snippet: RMSD LigMove values of ATP: Blue, mitoxantrone (MTX): Blue sky, riboflavin (RIB): Dark green, abacavir (ABA): Red, in black RMSD-Cα values of cdALK + .

Article Snippet: The RMSD value of its ATP molecule and iALK drugs were also measured throughout the molecular dynamics ( ).

Techniques:

Journal: PLOS ONE

Article Title: Mitoxantrone and abacavir: An ALK protein-targeted in silico proposal for the treatment of non-small cell lung cancer

doi: 10.1371/journal.pone.0295966

Figure Lengend Snippet: RMSD LigConf values of ATP: Blue, mitoxantrone (MTX): Blue sky, riboflavin (RIB): Dark green, abacavir (ABA): Red, in black RMSD-Cα values of cdALK + .

Article Snippet: The RMSD value of its ATP molecule and iALK drugs were also measured throughout the molecular dynamics ( ).

Techniques: