The model exhibited significant 3D similarities to 11βHSD1.
As shown in Table 3, the steroid 3D-QSAR model exhibited significant self-consistency (R2 = 0.78) as well as high internal predictive ability (Q2 = 0.76).
The gene frequencies of case group and control group, under allele model and dominant model, exhibited significant differences (allele model: RR = 0.66, 95% CI = 0.58~0.76, P < 0.001; dominant model: RR = 0.72, 95% CI = 0.64~0.82, P < 0.001).
All multivariable models exhibited significant dose response effects for increased fitness and reduced mortality risk, including models adjusting for sedentary behaviour (linear trend p<0.05 for all).
In contrast, arteries from both hypertensive models exhibited significant increases in caveolin-1 expression and decreases in the regulators of G-protein signalling, Rgs2 and Rgs5.
Larger contrasts arise when considering MOC trends, with a majority of models exhibiting significant strengthening of the MOC during the late 20th and early 21st century.
The final models exhibit significant statistics, interpretability, as well as displaying predictive power on an external validation set made up of chromone derivatives with unknown activity (that are being reported here for first time) synthesized by our group, and coumarins recently reported in the literature.
The resulting models exhibit significant performance improvement in comparison with other existing tools.
The Z-scores of the individual terms of the scoring function indicate which structural features of a model exhibit significant deviations from the expected 'native' behaviour, e.g. unexpected solvent accessibility, back-bone geometry, inter-atomic packing, etc.
Compound 8 of this series was selected for evaluation in vivo in a B16-F10 syngeneic mouse tumor model and exhibited significant reduction in tumor growth rate, in tumor vascular density and in metastases to the lung compared to the control.
The 2- and 4-week OAB model groups exhibited significant increases in BP and MVP, as well as bladder capacity, compared with the corresponding sham groups.
