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pdb complex file  (Accelrys)

 
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    Accelrys pdb complex file
    Pdb Complex File, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/pdb+complex+file/pm38666247-78-15-18?v=Accelrys
    Average 90 stars, based on 1 article reviews
    pdb complex file - by Bioz Stars, 2026-07
    90/100 stars

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    Design of compounds 4a-4j according to the pharmacophoric necessities of donepezil

    Journal: Iranian Journal of Basic Medical Sciences

    Article Title: 2-(2-(4-Benzoylpiperazin-1-yl)ethyl)isoindoline-1,3-dione derivatives: Synthesis, docking and acetylcholinesterase inhibitory evaluation as anti-alzheimer agents

    doi: 10.22038/ijbms.2017.8095

    Figure Lengend Snippet: Design of compounds 4a-4j according to the pharmacophoric necessities of donepezil

    Article Snippet: The pdb files of acetyl cholinesterase in complex with donepezil (pdb code: 1EVE) was downloaded from brookhaven protein databank ( , ).

    Techniques:

    Superimposition of compound 4e with structure of donepezil in the active site of AChE

    Journal: Iranian Journal of Basic Medical Sciences

    Article Title: 2-(2-(4-Benzoylpiperazin-1-yl)ethyl)isoindoline-1,3-dione derivatives: Synthesis, docking and acetylcholinesterase inhibitory evaluation as anti-alzheimer agents

    doi: 10.22038/ijbms.2017.8095

    Figure Lengend Snippet: Superimposition of compound 4e with structure of donepezil in the active site of AChE

    Article Snippet: The pdb files of acetyl cholinesterase in complex with donepezil (pdb code: 1EVE) was downloaded from brookhaven protein databank ( , ).

    Techniques:

    Results of anti-acetylcholinesterase activity of compounds 4a-4j (IC 50 , µM)

    Journal: Iranian Journal of Basic Medical Sciences

    Article Title: 2-(2-(4-Benzoylpiperazin-1-yl)ethyl)isoindoline-1,3-dione derivatives: Synthesis, docking and acetylcholinesterase inhibitory evaluation as anti-alzheimer agents

    doi: 10.22038/ijbms.2017.8095

    Figure Lengend Snippet: Results of anti-acetylcholinesterase activity of compounds 4a-4j (IC 50 , µM)

    Article Snippet: The pdb files of acetyl cholinesterase in complex with donepezil (pdb code: 1EVE) was downloaded from brookhaven protein databank ( , ).

    Techniques: Activity Assay

    Design of new donepezil-like analogs based on the phthalimide structure.

    Journal: DARU Journal of Pharmaceutical Sciences

    Article Title: Synthesis, docking and acetylcholinesterase inhibitory assessment of 2-(2-(4-Benzylpiperazin-1-yl)ethyl)isoindoline-1,3-dione derivatives with potential anti-Alzheimer effects

    doi: 10.1186/2008-2231-21-47

    Figure Lengend Snippet: Design of new donepezil-like analogs based on the phthalimide structure.

    Article Snippet: The pdb file of acetylcholinesterase enzyme in complex with donepezil (pdb code: 1EVE) was downloaded from brookhaven protein databank [ ].

    Techniques:

    Superimposed structure of compound 4a with donepezil in the active site of AChE. A similar binding mode and interaction like donepezil are observed for compound 4a.

    Journal: DARU Journal of Pharmaceutical Sciences

    Article Title: Synthesis, docking and acetylcholinesterase inhibitory assessment of 2-(2-(4-Benzylpiperazin-1-yl)ethyl)isoindoline-1,3-dione derivatives with potential anti-Alzheimer effects

    doi: 10.1186/2008-2231-21-47

    Figure Lengend Snippet: Superimposed structure of compound 4a with donepezil in the active site of AChE. A similar binding mode and interaction like donepezil are observed for compound 4a.

    Article Snippet: The pdb file of acetylcholinesterase enzyme in complex with donepezil (pdb code: 1EVE) was downloaded from brookhaven protein databank [ ].

    Techniques: Binding Assay

    Results (IC 50 , μM) of in vitro acetylcholinesterase assay of compounds 4a-4l

    Journal: DARU Journal of Pharmaceutical Sciences

    Article Title: Synthesis, docking and acetylcholinesterase inhibitory assessment of 2-(2-(4-Benzylpiperazin-1-yl)ethyl)isoindoline-1,3-dione derivatives with potential anti-Alzheimer effects

    doi: 10.1186/2008-2231-21-47

    Figure Lengend Snippet: Results (IC 50 , μM) of in vitro acetylcholinesterase assay of compounds 4a-4l

    Article Snippet: The pdb file of acetylcholinesterase enzyme in complex with donepezil (pdb code: 1EVE) was downloaded from brookhaven protein databank [ ].

    Techniques: In Vitro, AChE Assay

    Superimposed structure of native amino acid isoleucine in sphere shape (orange color) with mutant amino acid threonine (red color) at position 64 in PDB ID 1DE8 of APE1 gene.

    Journal: PLoS ONE

    Article Title: Investigating the Structural Impacts of I64T and P311S Mutations in APE1-DNA Complex: A Molecular Dynamics Approach

    doi: 10.1371/journal.pone.0031677

    Figure Lengend Snippet: Superimposed structure of native amino acid isoleucine in sphere shape (orange color) with mutant amino acid threonine (red color) at position 64 in PDB ID 1DE8 of APE1 gene.

    Article Snippet: Co-ordinates file of APE1 Protein-DNA complex with PDB ID 1DE8 was obtained from PDB for structural analysis using Molecular dynamics approach.

    Techniques: Mutagenesis

    Superimposed structure of native amino acid proline in sphere shape (orange color) with mutant amino acid serine (red color) at position 311 in PDB ID 1DE8 of APE1 gene.

    Journal: PLoS ONE

    Article Title: Investigating the Structural Impacts of I64T and P311S Mutations in APE1-DNA Complex: A Molecular Dynamics Approach

    doi: 10.1371/journal.pone.0031677

    Figure Lengend Snippet: Superimposed structure of native amino acid proline in sphere shape (orange color) with mutant amino acid serine (red color) at position 311 in PDB ID 1DE8 of APE1 gene.

    Article Snippet: Co-ordinates file of APE1 Protein-DNA complex with PDB ID 1DE8 was obtained from PDB for structural analysis using Molecular dynamics approach.

    Techniques: Mutagenesis