An In Silico Study of the Interactions of Alkaloids from Cryptolepis sanguinolenta with Plasmodium falciparum Dihydrofolate Reductase and Dihydroorotate Dehydrogenase

Figure 8

(a) Binding poses of biscryptolepine, cryptolepicarboline, cryptoquindoline, and cryptospirolepine outside of the inhibitor binding domain (IBD is shown as a sphere object). (b) Binding poses of cryptoheptine, cryptolepinone, and hydroxycryptolepine within the binding region shown as a sphere object. (c) Biscryptolepine (red carbon spheres) binding at the end and mouth regions of the quinone-binding tunnel. (d) Overall binding of planar group of alkaloids (cluster of red models) showing preference for both the teriflunomide (green sphere ball and stick model) and flavin mononucleotide (FMN; blue sphere ball and stick model) binding sites.

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