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. 2021 Feb 28;27(3):97. doi: 10.1007/s00894-021-04703-6

Fig. 4.

Fig. 4

Molecular dock pose of a withaferin-A mol 61 and Mpro complex, b withaferin-A mol 61::Mpro binding in 2D, c withaferin-A mol 64 and Mpro complex, d withaferin-A mol 64::Mpro binding in 2D, e pharmacophore model of withaferin-A derivative molecule 61 showing pharmacophore interaction at the binding site of main protease (Mpro), f pharmacophore model of withaferin-A derivative molecule 64 showing pharmacophore interaction at the binding site of the main protease (Mpro)