Review




Structured Review

BioSolveIT GmbH flexx docking algorithm
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).
Flexx Docking Algorithm, 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/docking+algorithms+flexx/flexx+docking+algorithm/pmc06572294-72-13-25
Average 90 stars, based on 1 article reviews
flexx docking algorithm - by Bioz Stars, 2026-09
90/100 stars

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1) Product Images from "Repurposing of FDA-Approved NSAIDs for DPP-4 Inhibition as an Alternative for Diabetes Mellitus Treatment: Computational and in Vitro Study"

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

Journal: Pharmaceutics

doi: 10.3390/pharmaceutics11050238

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).
Figure Legend 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).

Techniques Used: Generated, Binding Assay

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