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OriginLab corp heatmap graph
Structural alignment and similarity analysis of Montelukast and its modifications. ( A ) Superimposition of Montelukast modifications with the native structure (backbone representation). ( B ) A 3D superimposition of Montelukast modifications with the native structure. Different colors represent different Montelukast modifications, allowing visual comparison of structural variations. ( C ) Pairwise similarity correlation <t>heatmap,</t> depicting the structural similarity scores between Montelukast and its modified derivatives. Higher similarity scores indicate minimal structural deviation, while lower scores suggest significant modifications. ( D ) Similarity score distribution plot, providing a comparative analysis of the degree of structural resemblance between each modified derivative and the native Montelukast. Purple colors indicate the similarity of each modification compared to the native structure of Montelukast.
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Structural alignment and similarity analysis of Montelukast and its modifications. ( A ) Superimposition of Montelukast modifications with the native structure (backbone representation). ( B ) A 3D superimposition of Montelukast modifications with the native structure. Different colors represent different Montelukast modifications, allowing visual comparison of structural variations. ( C ) Pairwise similarity correlation heatmap, depicting the structural similarity scores between Montelukast and its modified derivatives. Higher similarity scores indicate minimal structural deviation, while lower scores suggest significant modifications. ( D ) Similarity score distribution plot, providing a comparative analysis of the degree of structural resemblance between each modified derivative and the native Montelukast. Purple colors indicate the similarity of each modification compared to the native structure of Montelukast.

Journal: Pharmaceuticals

Article Title: Computational Investigation of Montelukast and Its Structural Derivatives for Binding Affinity to Dopaminergic and Serotonergic Receptors: Insights from a Comprehensive Molecular Simulation

doi: 10.3390/ph18040559

Figure Lengend Snippet: Structural alignment and similarity analysis of Montelukast and its modifications. ( A ) Superimposition of Montelukast modifications with the native structure (backbone representation). ( B ) A 3D superimposition of Montelukast modifications with the native structure. Different colors represent different Montelukast modifications, allowing visual comparison of structural variations. ( C ) Pairwise similarity correlation heatmap, depicting the structural similarity scores between Montelukast and its modified derivatives. Higher similarity scores indicate minimal structural deviation, while lower scores suggest significant modifications. ( D ) Similarity score distribution plot, providing a comparative analysis of the degree of structural resemblance between each modified derivative and the native Montelukast. Purple colors indicate the similarity of each modification compared to the native structure of Montelukast.

Article Snippet: The similarity data were processed and visualized as a heatmap graph using OriginLab Pro version 2024 (OriginLab Corporation, Northampton, MA, USA) [ ].

Techniques: Comparison, Modification