Sentence examples for most active molecule from inspiring English sources

Docking of most active molecule to the binding site of 5-LO Xconfirmed the stability and rationality of CoMFA model.

Darunavir (DRV) is one of the most attracting targets as it is the most active molecule among eleven FDA approved drugs of present time [11].

The most active molecule in this series was analog 6a (4-ethyl ester, 5-amino), which increased cellular GSH levels by 190%%.

Particularly, compound 9a containing acetylated glucose moiety was found to be the most active molecule with an IC50 value of 0.31 μM.

Docked conformation of the most active molecule in the series, which shows desirable interactions in the receptor, was taken as template for alignment of the molecules.

Molecular docking studies indicated that compound q1 (the most active molecule) has the maximum hydrogen bond interaction (four) and π π stacking (three) network among the bis-pyrimidine Schiff bases.

Following a virtual screening campaign the results of the experimental evaluation confirmed the protocol quality, while the two most active molecules which inhibited mPGES-1 in a cell-free mPGES-1 activity assay, compounds 6 and 7, may serve as promising starting points for further optimization.

Fig. 4 The contour plots of LUMO orbitals of the most active molecules.

This empirical evidence demonstrates that our generated pre-image VSMMD is able to capture important properties of the ten most active molecules.

Figures 4 and 5 shows the mapping of the HOMO orbitals on the most active molecules, while Additional file 1: Figure S1 shows the mapping of LUMO orbitals.

The most active molecules of the series were 4 times more potent in the GSH Px-like test than the widely known reference compound, ebselen.