Drug Review: Pyrimethamine

Pyrimethamine contains 1 chlorine group, which creates a partial negative charge on one end of the molecule. It also contains 2 partially positive charged amine groups and 2 imine groups in a ring. The overall formal charge of the molecule is 0. It interacts with the amino acids serine, threonine, isoleucine, asparagine, and leucine. Serine and threonine have the highest binding affinities with pyrimethamine, as both are polar side chains with a hydroxyl group. They are followed by isoleucine with a hydrophobic side chain and asparagine with a carbonyl and amine group. Finally, leucine is the amino acid with the lowest known affinity with pyrimethamine. Other amino acids also bind to pyrimethamine, but their affinities are unknown.

2BL9 & CP6

3UM5 & CP6

1J3J & CP6

3QFX & CP6

Below is an interactive window to model the ligand interactions and binding of the chlorine group in pyrimethamine, hosted by MANORAA.ai. Please scroll down and explore the ligand interactions by selecting the relevant complex and amino acid.