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flexx docking algorithm of the leadit environment  (BioSolveIT GmbH)

 
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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
    https://www.bioz.com/product/flexx+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: Computer-aided Discovery of a New Nav1.7 Inhibitor for Treatment of Pain and Itch
    Article Snippet: .. Binding positions of each ligand retrieved from the similarity search were generated, scored for predicted binding affinity, and ranked using the FlexX algorithm (LeadIT software package version 2.3.2, BioSolveIT GmbH, Germany). ..

    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.

    Article Title: Computer-aided Discovery of a New Nav1.7 Inhibitor for Treatment of Pain and Itch
    Article Snippet: .. Binding positions of each ligand retrieved from the similarity search were generated, scored for predicted binding affinity, and ranked using the FlexX algorithm (LeadIT software package version 2.3.2, BioSolveIT GmbH, Germany). ..

    Generated:

    Article Title: Computer-aided Discovery of a New Nav1.7 Inhibitor for Treatment of Pain and Itch
    Article Snippet: .. Binding positions of each ligand retrieved from the similarity search were generated, scored for predicted binding affinity, and ranked using the FlexX algorithm (LeadIT software package version 2.3.2, BioSolveIT GmbH, Germany). ..

    other:

    Article Title: Over View on Molecular Docking: A Powerful Approach for Structure Based Drug Discovery
    Article Snippet: Flex X Algorithm – Incremental reconstruction Scoring Term – Modified Bohm scoring function Advantages – Provides large number of conformations Organization – BioSolveIT Docking Speed – Fast Accuracy of Docking – 75% Availability – Commercial Website – https://www.biosolveit.de/FlexX/ 59 8.



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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