bace-1 inhibitors  (MultiTarget Pharmaceuticals)

Journal: RSC Advances

Article Title: Unveiling the potential of novel indol-3-yl-phenyl allylidene hydrazine carboximidamide derivatives as AChE/BACE 1 dual inhibitors: a combined in silico , synthesis and in vitro study †

doi: 10.1039/d4ra04315d

Figure Lengend Snippet: Inhibitory activities of compounds 1a–s on AChE and BACE 1 a

Article Snippet: BACE 1 inhibitor IV (Calbiochem IV; CAS no. 797035-11-1) (IC 50 = 18 nM; literature value.

Techniques:

Journal: RSC Advances

Article Title: Unveiling the potential of novel indol-3-yl-phenyl allylidene hydrazine carboximidamide derivatives as AChE/BACE 1 dual inhibitors: a combined in silico , synthesis and in vitro study †

doi: 10.1039/d4ra04315d

Figure Lengend Snippet: Inhibitory activities of compounds 2a–j on AChE and BACE 1 a

Article Snippet: BACE 1 inhibitor IV (Calbiochem IV; CAS no. 797035-11-1) (IC 50 = 18 nM; literature value.

Techniques:

Journal: RSC Advances

Article Title: Unveiling the potential of novel indol-3-yl-phenyl allylidene hydrazine carboximidamide derivatives as AChE/BACE 1 dual inhibitors: a combined in silico , synthesis and in vitro study †

doi: 10.1039/d4ra04315d

Figure Lengend Snippet: Inhibitory activities of compounds 3a–l on AChE and BACE 1 a

Article Snippet: BACE 1 inhibitor IV (Calbiochem IV; CAS no. 797035-11-1) (IC 50 = 18 nM; literature value.

Techniques:

Journal: RSC Advances

Article Title: Unveiling the potential of novel indol-3-yl-phenyl allylidene hydrazine carboximidamide derivatives as AChE/BACE 1 dual inhibitors: a combined in silico , synthesis and in vitro study †

doi: 10.1039/d4ra04315d

Figure Lengend Snippet: (A) 2D interaction plot of 1l in AChE (Glide score-11.08 kcal mol −1 ); (B) 2D interaction plot of 1l in BACE 1 (Glide score-10.98 kcal mol −1 ).

Article Snippet: BACE 1 inhibitor IV (Calbiochem IV; CAS no. 797035-11-1) (IC 50 = 18 nM; literature value.

Techniques:

Journal: RSC Advances

Article Title: Unveiling the potential of novel indol-3-yl-phenyl allylidene hydrazine carboximidamide derivatives as AChE/BACE 1 dual inhibitors: a combined in silico , synthesis and in vitro study †

doi: 10.1039/d4ra04315d

Figure Lengend Snippet: (A) 2D interaction plot of 3j in 4EY7 (Glide score-12.05 kcal mol −1 ); (B) 2D interaction plot of 3j in BACE 1 (Glide score-6.89 kcal mol −1 ).

Article Snippet: BACE 1 inhibitor IV (Calbiochem IV; CAS no. 797035-11-1) (IC 50 = 18 nM; literature value.

Techniques:

Journal: RSC Advances

Article Title: Unveiling the potential of novel indol-3-yl-phenyl allylidene hydrazine carboximidamide derivatives as AChE/BACE 1 dual inhibitors: a combined in silico , synthesis and in vitro study †

doi: 10.1039/d4ra04315d

Figure Lengend Snippet: Molecular dynamics studies of 1l-BACE 1 (PDB ID: 6UWP ) docked complex. [A] Comparative RMSD of BACE 1 (protein backbone) and compound 1l in the protein–ligand complex throughout the simulation period of 100 ns. [B] Graphical representation showing interactions with active site amino acid residues (aspartate dyad); [C] histogram showing interaction fractions with active amino acid residues; [D and E] timeline representation showing interaction with all the amino acid residues at each time frame.

Article Snippet: BACE 1 inhibitor IV (Calbiochem IV; CAS no. 797035-11-1) (IC 50 = 18 nM; literature value.

Techniques: