The Exploration of Novel Pharmacophore Characteristics and Multidirectional Elucidation of Structure-Activity Relationship and Mechanism of Sesquiterpene Pyridine Alkaloids from <i>Tripterygium</i> Based on Computational Approaches

<div>Pharmacophore models generated using six alkaloids. (a) Pharmacophore-1 (Pm<sub>-</sub>01) with three features, including HBA (green), HBD (pink), and HY (blue). (b) Compound wilfordinine G mapping with pharmacophore-1. (c) Heat map analysis of pharmacophore model validation. (d) Compound wilfornine E, wilforjine, euojaponine K, wilfordinine H, wilfordinine D, hyponine A, euojaponine L, hypoglaunine E, wilfordinine E, and hyponine B mapping with pharmacophore-5 (Pm<sub>-</sub>05).</div>

Evidence-Based Complementary and Alternative Medicine

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Figure 2: The Exploration of Novel Pharmacophore Characteristics and Multidirectional Elucidation of Structure-Activity Relationship and Mechanism of Sesquiterpene Pyridine Alkaloids from <i>Tripterygium</i> Based on Computational Approaches 

Figure 2 | The Exploration of Novel Pharmacophore Characteristics and Multidirectional Elucidation of Structure-Activity Relationship and Mechanism of Sesquiterpene Pyridine Alkaloids from Tripterygium Based on Computational Approaches 