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Research Article

Isolation, crystal structure determination and cholinesterase inhibitory potential of isotalatizidine hydrate from Delphinium denudatum

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Pages 680-686 | Received 19 Jun 2016, Accepted 19 Sep 2016, Published online: 29 Dec 2016

Figures & data

Figure 1. Compound 1, thermal ellipsoid are drawn at 50% probability, showing all hydrogen atoms.

Figure 1. Compound 1, thermal ellipsoid are drawn at 50% probability, showing all hydrogen atoms.

Table 1. Data related to structure determination and refinement of compound 1.

Table 2. List of selected bond lengths (Å) and bond angle (o) of compound 1.

Figure 2. HOMO-LUMO of compound 1 calculated at B3LYP/6-31 + G (p).

Figure 2. HOMO-LUMO of compound 1 calculated at B3LYP/6-31 + G (p).

Table 3. Energy parameters of the compound 1.

Figure 3. (A) Acetylecholinesterase inhibition by compound 1 is the Lineweaver–Burk plot of reciprocal of initial velocities versus reciprocal of four fixed substrate concentrations in absence (•) and presence of 100 μM (▪), 75 μM (▴), 50 μM (×) of compound 1. (B) Butyrylecholinesterase inhibition by 1 in absence (•) and presence of 100 μM (▪), 75 μM (▴), 50 μM (×) of compound 1.

Figure 3. (A) Acetylecholinesterase inhibition by compound 1 is the Lineweaver–Burk plot of reciprocal of initial velocities versus reciprocal of four fixed substrate concentrations in absence (•) and presence of 100 μM (▪), 75 μM (▴), 50 μM (×) of compound 1. (B) Butyrylecholinesterase inhibition by 1 in absence (•) and presence of 100 μM (▪), 75 μM (▴), 50 μM (×) of compound 1.

Table 4. AChE and BChE inhibitory activities of compound 1 (isotalatizidine hydrate).

Figure 4. Structure of compound 1, orientation of different rings and groups are shown.

Figure 4. Structure of compound 1, orientation of different rings and groups are shown.

Figure 5. 3D binding mode of compound 1 as competitive inhibitor of AChE and BChE.

Figure 5. 3D binding mode of compound 1 as competitive inhibitor of AChE and BChE.