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Figure 4 | Malaria Journal

Figure 4

From: Characterization of the Anopheles gambiae octopamine receptor and discovery of potential agonists and antagonists using a combined computational-experimental approach

Figure 4

Protein conformations resulting from molecular docking of active compounds. The antagonist promethazine can bind to D100 in two different conformations. Promethazine exhibits H-bonding to D100 of TM3 and does not interact with either of the serines of TM5 (A) and has potential π -π interactions with either F483 of TM6 or F211 of TM5 (B). The agonist octopamine can potentially H-bond to D100 and S206 (C), S210 (D), or S206, S210, and E161 (E). Octopamine also exhibits potential π -π interactions with either F483 (C) or F484 (D). Note that an H-bond between octopamine and L97 is also seen in panel E, but was ignored as this is a peptide bond and can thus be made with any amino acid. (F) Chemical structures of octopamine and promethazine.

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Malaria Journal

ISSN: 1475-2875

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