Sentence examples for position as compound from inspiring English sources

Because C2-C8 are structurally similar to C1 (Fig. 1), docking was performed upon first anchoring the oxadiazolone ring in the same position as compound C1, followed by energy minimization and molecular dynamics.

The most potent compounds identified in the early work were 2,4-diamino-5-ketothiazoles 13 bearing aromatic groups in both the R and R position, such as compound 8 (IC50=0.03 μ m, Table 3).

Methyl substitution of the 3-position of compound 10 as in compound 39 had no effect on activity relative to that of compound 10, but further substitution at this position as in compound 40 had a negative effect on MICs against Staphylococcus and Enterococcus spp. Polar substitutions at this position as in compound 41 also had a negative influence on potency relative to that of compound 10.

We selected isophthalic-type aromatic residues at the P2 position and an HMC isostere at the P1 position as lead compounds.

In contrast, the presence of a strong electron-donating or a conjugated group (especially benzyl, aromatic heterocyclic ring, or diene-substituted groups) at the same position (such as compounds 26– 47) substantially increases the stability of the carbocation and, hence, results in rather low activation free energy and high formation of NDMA.

An electron-donating substituent at the 3-position, as in compound 6, gave a 10-fold loss in potency relative to unsubstituted compound 3; however, all potency was regained if the 3-position group was changed to an electron-withdrawing group, such as trifluoromethyl (compound 7).

Betulinic acid derivatives modified at the C28 position are HIV-1entry inhibitors such as compound A43D; however, modified at the C3 position instead of C28 give HIV-1 maturation inhibitor such as bevirimat.

Interestingly, compound 2 has a difference of only one olefinic double bonds at C-4 position as compared to its parent compound; probably due to the absence of this double bond compound 3 was not able to inhibit considerable growth of cancer cells at 100 μM that is why this compound was not evaluated further.

On the basis of docking analyses, it was revealed that compound with highest activity (32) ranked at top position as compared to least active compound 46.

Interestingly, the para position of "R1" substituted benzyl group, such as compound 12, did not enhance the MolDock score than the meta position as in compound 10 and 18.

Further exploration of the SAR was undertaken at the isoxazole position, giving compound 43 as the most potent analogue against TcPFK with an IC50 of 0.041 μM.