Investigating Potential Inhibitory Effect of <i>Uncaria tomentosa</i> (Cat’s Claw) against the Main Protease 3CL<sup>pro</sup> of SARS-CoV-2 by Molecular Modeling

<div>(a) N3 docked into the 3CL<sup>pro</sup> cleavage pocket. (b) Superposition of the best conformation of the most active components: speciophylline (yellow), uncarine F (blue), cadambine (red), 3-dihydrocadambine (orange), 3-isodihydrocadambine (black), proanthocyanidin B2 (purple), epiafzelechin-4<i>β</i>-8-epicatechin (brown), proanthocyanidin B4 (magenta), and N3 (cyan), a potent 3CL<sup>pro</sup> inhibitor.</div>

Evidence-Based Complementary and Alternative Medicine

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Figure 3

Figure 3: Investigating Potential Inhibitory Effect of <i>Uncaria tomentosa</i> (Cat’s Claw) against the Main Protease 3CL<sup>pro</sup> of SARS-CoV-2 by Molecular Modeling 

Figure 3 | Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling 