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KNIME <t>workflow</t> for drug-likeness analysis (A) <t>and</t> <t>PMI</t> analysis (B). (C) Results of PMI analysis of natural compounds after drug-likeness selection. (D) Generation of the 3D pharmacophore hypothesis from the domain interface of NTD–CTD GSDMD
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KNIME <t>workflow</t> for drug-likeness analysis (A) <t>and</t> <t>PMI</t> analysis (B). (C) Results of PMI analysis of natural compounds after drug-likeness selection. (D) Generation of the 3D pharmacophore hypothesis from the domain interface of NTD–CTD GSDMD
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KNIME <t>workflow</t> for drug-likeness analysis (A) <t>and</t> <t>PMI</t> analysis (B). (C) Results of PMI analysis of natural compounds after drug-likeness selection. (D) Generation of the 3D pharmacophore hypothesis from the domain interface of NTD–CTD GSDMD
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KNIME workflow for drug-likeness analysis (A) and PMI analysis (B). (C) Results of PMI analysis of natural compounds after drug-likeness selection. (D) Generation of the 3D pharmacophore hypothesis from the domain interface of NTD–CTD GSDMD

Journal: BMC Complementary Medicine and Therapies

Article Title: Discovery of pyroptosis-inducing natural products in neuroblastomas: computational studies with experimental validation

doi: 10.1186/s12906-025-05004-8

Figure Lengend Snippet: KNIME workflow for drug-likeness analysis (A) and PMI analysis (B). (C) Results of PMI analysis of natural compounds after drug-likeness selection. (D) Generation of the 3D pharmacophore hypothesis from the domain interface of NTD–CTD GSDMD

Article Snippet: Subsequent analysis focused on the molecular shape of the filtered compounds, employing the normalized principal moment of inertia (PMI) in a KNIME workflow (Fig. B, C).

Techniques: Selection