Journal: Journal of Molecular and Cellular Cardiology Plus

Article Title: Matured hiPSC-derived cardiomyocytes possess dematuration plasticity

doi: 10.1016/j.jmccpl.2025.100295

Figure Lengend Snippet: Small molecule screen for hiPSC-CM dematuration factors (A) Representative images of centrosome-positive and centrosome-negative d36 CDI-CMs in EdU-incorporation cell cycle activity assay. Yellow and Red boxes provide examples of centrosome-positive and centrosome-negative CDI-CMs, respectively. (B) Quantitation of centrosome-positive d36 CDI-CMs based on PCM1 location. (C) Quantitation of d36 CDI-CMs in the cell cycle based on EdU incorporation. (D) Quantitation of centrosome-positive and centrosome-negative d36 CDI-CMs that are in the cell cycle. (E) Representative images of centrosome-positive and centrosome-negative d36 CDI-CMs cultures in presence of araC. Yellow asterisks indicate centrosome-positive CDI-CMs. (F) Representative images of centrosome-positive and centrosome-negative d36 CDI-CMs cultures in presence of abemaciclib. Yellow asterisks indicate centrosome-positive CDI-CMs. (G) Quantitation of centrosome-positive d36 CDI-CMs in presence of cell cycle inhibitors compared to Control. Yellow scale bars = 10 μm. Data are presented as +/− SEM. *P < 0.05, **P < 0.005, ***P < 0.0005, **** P < 0.00005, ns = not significant. Statistics were determined using 1-way ANOVA followed by Dunnett's test in (B) and (C) and a 2-tailed, unpaired Student's t- test in (D) and (G). CDI-CM results are from 3 independent experiments from 3 different lot numbers, > 100 cardiomyocytes from 3 different 20× fields were scored per experiment. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)

Article Snippet: Abemaciclib (LY2835219) (Selleckchem, catalogue number: S7158) 1 micromolar used in cell culture.

Techniques: Activity Assay, Quantitation Assay, Control

Journal: Pharmaceuticals

Article Title: Virtual Screening, Molecular Dynamics, and Mechanism Study of Homeodomain-Interacting Protein Kinase 2 Inhibitor in Renal Fibroblasts

doi: 10.3390/ph17111420

Figure Lengend Snippet: Inhibitory activities of compounds inhibiting renal cell proliferation or HIPK2.

Article Snippet: Abemaciclib Mesylate (LY2835219, CAS ID: 1231930-82-7) was purchased from Shanghai Aladdin Biochemical Technology Co., Ltd. (Shanghai, China).

Techniques:

Journal: Pharmaceuticals

Article Title: Virtual Screening, Molecular Dynamics, and Mechanism Study of Homeodomain-Interacting Protein Kinase 2 Inhibitor in Renal Fibroblasts

doi: 10.3390/ph17111420

Figure Lengend Snippet: Interaction diagrams derived from 200 ns MD simulation trajectories, depicting plots of HIPK2 with Abemaciclib and CHR-6494. The blue regions represent Abemaciclib–HIPK2, while the red regions represent CHR-6494-HIPK2. ( A ) The plot of RMSD values over 200 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2. ( B ) The plot of RMSF values over 200 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2. ( C ) The plot of RMSF values over 200 ns for Abemaciclib and CHR-6494. ( D ) The plot of hydrogen bond numbers over 200 ns for Abemaciclib and CHR-6494 bound to HIPK2. ( E ) The plot of binding energy from 120 to 140 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2, calculated by MM-PBSA. ( F ) The plot of ΔE MM (the total potential energy of the system) from 120 to 140 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2. ( G ) The plot of ΔE polar (polar interaction) from 120 to 140 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2. ( H ) The plot of ΔE nonpolar (nonpolar interaction) values from 120 to 140 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2. ( I ) The plot of interaction energy from 120 to 140 ns for Abemaciclib–HIPK2 and CHR-6494-HIPK2.

Article Snippet: Abemaciclib Mesylate (LY2835219, CAS ID: 1231930-82-7) was purchased from Shanghai Aladdin Biochemical Technology Co., Ltd. (Shanghai, China).

Techniques: Derivative Assay, Binding Assay

Journal: Pharmaceuticals

Article Title: Virtual Screening, Molecular Dynamics, and Mechanism Study of Homeodomain-Interacting Protein Kinase 2 Inhibitor in Renal Fibroblasts

doi: 10.3390/ph17111420

Figure Lengend Snippet: CHR-6494 and Abemaciclib suppress the proliferation and migration of TGF-β-induced NRK-49F cells. ( A ) Representative images of the colony formation assay. ( B ) Representative images of the cell scratch assay. ( C ) Quantitative data analysis of colony numbers for Abemaciclib and CHR-6494 in NRK-49F cells induced by 10 ng/mL of TGF-β. ( D ) Quantitative data analysis of cell migration distance for Abemaciclib and CHR-6494 in NRK-49F cells induced by 10 ng/mL of TGF-β. Data are presented as mean ± SEM, n = 3; “ns” stands for no significant difference, **** p < 0.0001, *** p < 0.001, ** p < 0.01, * p < 0.05 versus the Control + TGF-β group.

Article Snippet: Abemaciclib Mesylate (LY2835219, CAS ID: 1231930-82-7) was purchased from Shanghai Aladdin Biochemical Technology Co., Ltd. (Shanghai, China).

Techniques: Migration, Colony Assay, Wound Healing Assay, Control

Journal: Pharmaceuticals

Article Title: Virtual Screening, Molecular Dynamics, and Mechanism Study of Homeodomain-Interacting Protein Kinase 2 Inhibitor in Renal Fibroblasts

doi: 10.3390/ph17111420

Figure Lengend Snippet: CHR-6494 and Abemaciclib mitigate NF-κB activation in HK-2 cells treated with 10 ng/mL TNF-α for 24 h in vitro. ( A ) The expression levels of p-p65, p65, and IL-6 proteins were measured by Western blot analysis. ( B ) Quantification of the ratios of p-p65, p65, and IL-6 normalized to β-actin. ( C ) Quantification of the ratios of p-p65 normalized to p65. Data are presented as mean ± SEM, n = 3; ## p < 0.01, # p < 0.05 versus the Control group, **** p < 0.0001, *** p < 0.001, ** p < 0.01, versus the Control + TGF-β group.

Article Snippet: Abemaciclib Mesylate (LY2835219, CAS ID: 1231930-82-7) was purchased from Shanghai Aladdin Biochemical Technology Co., Ltd. (Shanghai, China).

Techniques: Activation Assay, In Vitro, Expressing, Western Blot, Control

Journal: Pharmaceuticals

Article Title: Virtual Screening, Molecular Dynamics, and Mechanism Study of Homeodomain-Interacting Protein Kinase 2 Inhibitor in Renal Fibroblasts

doi: 10.3390/ph17111420

Figure Lengend Snippet: CHR-6494 and Abemaciclib enhance TGF-β-induced apoptosis in NRK-49F cells treated with 10 ng/mL of TGF-β for 24 h in vivo. ( A , C ) Scattergram of Abemaciclib and CHR-6494 on the apoptosis and ( B , D ) quantitative data analysis of apoptotic NRK-49F. “0/+,4/+,8/+,12/+,18/+” means NRK-49F cells after TGF-β stimulation, treated with different concentrations of Abemaciclib or CHR-6494. ( E ) The expression levels of caspase 3 and cleaved caspase 3 proteins were measured by Western blot analysis. ( F ) Quantification of the ratios of cleaved caspase 3 normalized to caspase 3. Data are presented as mean ± SEM, n = 3; “ns” stands for no significant difference, *** p < 0.001, ** p < 0.01, * p < 0.05 versus the Control + TGF-β group.

Article Snippet: Abemaciclib Mesylate (LY2835219, CAS ID: 1231930-82-7) was purchased from Shanghai Aladdin Biochemical Technology Co., Ltd. (Shanghai, China).

Techniques: In Vivo, Expressing, Western Blot, Control