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flexx docking algorithm of the leadit environment  (BioSolveIT GmbH)

 
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    Structured Review

    BioSolveIT GmbH flexx docking algorithm of the leadit environment
    Flexx Docking Algorithm Of The Leadit Environment, supplied by BioSolveIT GmbH, 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/flexx+docking+algorithm/flexx+docking+algorithm/pmc08174488-308-11-20
    Average 90 stars, based on 1 article reviews
    flexx docking algorithm of the leadit environment - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    Software:

    Article Title: Spiro-acridine inhibiting tyrosinase enzyme: Kinetic, protein-ligand interaction and molecular docking studies.
    Article Snippet: AC C EP TE D M AN U SC R Here, we evaluate spiro-acridines as inhibitors of tyrosinase, a key enzyme to melanogenesis.. For this purpose, the spiro-acridines 3-(acridin-9-yl)-N-benzylidene-2-cyanoacrylohydrazide (AMTAC-01) and 3-(acridin-9-yl)-2-cyano-N-(4-metoxybenzylidene)-acrylohydrazide (AMTAC-02) were synthesized and their enzymatic inhibition types and mechanisms were investigated.. In addition, the interaction of these compounds with the enzyme were studied by UV-vis spectroscopy, spectrofluorimetry, 1 H NMR titration as well as molecular docking.

    Article Title: Repurposing of FDA-Approved NSAIDs for DPP-4 Inhibition as an Alternative for Diabetes Mellitus Treatment: Computational and in Vitro Study
    Article Snippet: .. For this purpose, FDA-approved NSAIDs were chosen to do docking simulations using the FlexX docking algorithm [ ] provided by LeadIT software package version 2.3.2 (BioSolveIT GmbH, Sankt Augustin, Germany). ..

    Binding Assay:

    Article Title: Spiro-acridine inhibiting tyrosinase enzyme: Kinetic, protein-ligand interaction and molecular docking studies.
    Article Snippet: AC C EP TE D M AN U SC R Here, we evaluate spiro-acridines as inhibitors of tyrosinase, a key enzyme to melanogenesis.. For this purpose, the spiro-acridines 3-(acridin-9-yl)-N-benzylidene-2-cyanoacrylohydrazide (AMTAC-01) and 3-(acridin-9-yl)-2-cyano-N-(4-metoxybenzylidene)-acrylohydrazide (AMTAC-02) were synthesized and their enzymatic inhibition types and mechanisms were investigated.. In addition, the interaction of these compounds with the enzyme were studied by UV-vis spectroscopy, spectrofluorimetry, 1 H NMR titration as well as molecular docking.

    other:

    Article Title: Biological evaluation and molecular modelling study of thiosemicarbazide derivatives as bacterial type IIA topoisomerases inhibitors.
    Article Snippet: FlexX and HYDE docking algorithms as implemented in LeadIT platform of BioSolveIT program were used with default parameters.



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    BioSolveIT GmbH flexx docking algorithm of the leadit environment
    Flexx Docking Algorithm Of The Leadit Environment, supplied by BioSolveIT GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    DPP-4 interactions with piroxicam generated using the <t>FlexX</t> <t>docking</t> algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).
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    DPP-4 interactions with piroxicam generated using the <t>FlexX</t> <t>docking</t> algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).
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    DPP-4 interactions with piroxicam generated using the <t>FlexX</t> <t>docking</t> algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).
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    Image Search Results


    DPP-4 interactions with piroxicam generated using the FlexX docking algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).

    Journal: Pharmaceutics

    Article Title: Repurposing of FDA-Approved NSAIDs for DPP-4 Inhibition as an Alternative for Diabetes Mellitus Treatment: Computational and in Vitro Study

    doi: 10.3390/pharmaceutics11050238

    Figure Lengend Snippet: DPP-4 interactions with piroxicam generated using the FlexX docking algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).

    Article Snippet: For this purpose, FDA-approved NSAIDs were chosen to do docking simulations using the FlexX docking algorithm [ ] provided by LeadIT software package version 2.3.2 (BioSolveIT GmbH, Sankt Augustin, Germany).

    Techniques: Generated, Binding Assay