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discovery studio 3.0 software package pharmacophore generation  (Accelrys)

 
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    Structured Review

    Accelrys discovery studio 3.0 software package pharmacophore generation
    2D Chemical structures of 18 training set used to obtain HypoGen <t>pharmacophore</t> hypotheses.
    Discovery Studio 3.0 Software Package Pharmacophore Generation, 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/discovery+studio+3%2E0+software+package+pharmacophore+generation/common+feature+pharmacophore+generation+module/pmc03615092-134-14-18
    Average 90 stars, based on 1 article reviews
    discovery studio 3.0 software package pharmacophore generation - by Bioz Stars, 2026-11
    90/100 stars

    Images

    1) Product Images from "Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening"

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    Journal: PLoS ONE

    doi: 10.1371/journal.pone.0059315

    2D Chemical structures of 18 training set used to obtain HypoGen pharmacophore hypotheses.
    Figure Legend Snippet: 2D Chemical structures of 18 training set used to obtain HypoGen pharmacophore hypotheses.

    Techniques Used:

    2D chemical structures of 30 test set molecules for the pharmacophore model validation.
    Figure Legend Snippet: 2D chemical structures of 30 test set molecules for the pharmacophore model validation.

    Techniques Used:

    Results of pharmacophore hypotheses generated by HypoGen.
    Figure Legend Snippet: Results of pharmacophore hypotheses generated by HypoGen.

    Techniques Used: Generated

    A and C, S1 and S13 binding to the active site of Hsp90, respectively. B and D, S1 and S13 mapped onto the pharmacophore model Hypo1, respectively. S1, S13 and the key residues were shown as stick. H-bond was colored in red. Hypothesis features are color-coded as follows: hydrophobic aromatic, light blue; hydrogen bond donor, violet; hydrogen bond acceptor, green.
    Figure Legend Snippet: A and C, S1 and S13 binding to the active site of Hsp90, respectively. B and D, S1 and S13 mapped onto the pharmacophore model Hypo1, respectively. S1, S13 and the key residues were shown as stick. H-bond was colored in red. Hypothesis features are color-coded as follows: hydrophobic aromatic, light blue; hydrogen bond donor, violet; hydrogen bond acceptor, green.

    Techniques Used: Binding Assay

    Related Articles

    Software:

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening
    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Generated:

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening
    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Binding Assay:

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening
    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).



    Similar Products

    discovery studio 3.0 software package pharmacophore generation  (Accelrys)
    90
    Accelrys discovery studio 3.0 software package pharmacophore generation
    2D Chemical structures of 18 training set used to obtain HypoGen <t>pharmacophore</t> hypotheses.
    Discovery Studio 3.0 Software Package Pharmacophore Generation, 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/discovery+studio+3%2E0+software+package+pharmacophore+generation/common+feature+pharmacophore+generation+module/pmc03615092-134-14-18
    Average 90 stars, based on 1 article reviews
    discovery studio 3.0 software package pharmacophore generation - by Bioz Stars, 2026-11
    90/100 stars
    		  Buy from Supplier

    Image Search Results


    2D Chemical structures of 18 training set used to obtain HypoGen pharmacophore hypotheses.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: 2D Chemical structures of 18 training set used to obtain HypoGen pharmacophore hypotheses.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques:

    2D chemical structures of 30 test set molecules for the pharmacophore model validation.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: 2D chemical structures of 30 test set molecules for the pharmacophore model validation.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques:

    Results of pharmacophore hypotheses generated by HypoGen.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: Results of pharmacophore hypotheses generated by HypoGen.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques: Generated

    A and C, S1 and S13 binding to the active site of Hsp90, respectively. B and D, S1 and S13 mapped onto the pharmacophore model Hypo1, respectively. S1, S13 and the key residues were shown as stick. H-bond was colored in red. Hypothesis features are color-coded as follows: hydrophobic aromatic, light blue; hydrogen bond donor, violet; hydrogen bond acceptor, green.

    Journal: PLoS ONE

    Article Title: Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

    doi: 10.1371/journal.pone.0059315

    Figure Lengend Snippet: A and C, S1 and S13 binding to the active site of Hsp90, respectively. B and D, S1 and S13 mapped onto the pharmacophore model Hypo1, respectively. S1, S13 and the key residues were shown as stick. H-bond was colored in red. Hypothesis features are color-coded as follows: hydrophobic aromatic, light blue; hydrogen bond donor, violet; hydrogen bond acceptor, green.

    Article Snippet: The following program were used in the manuscript: Discovery Studio 3.0 software package for pharmacophore model generation (DS, Accelrys Inc., San Diego, USA); Gold 5.0 program for molecular docking (CCDC, UK); Derek 2.0.3 for the toxicities prediction (Lhasa Inc., UK); MarvinSketch 5.10.0 for the physicochemical properties prediction (Chemaxon Ltd., USA).

    Techniques: Binding Assay