Structural Modelling of Platelet Activating Factor Acetyl Hydrolase in Leishmania donovani , Trypanosoma cruzi , and Trypanosoma brucei : Implications on Therapeutics for Leishmaniasis, Chagas Disease, and Sleeping Sickness.
Arunima GoswamiTirthankar KoleyMadhan Vishal RajanPathak MadhuriNeelam UpadhyayUddipan DasManoj KumarAbdul Samath EthayathullaGururao HariprasadPublished in: Infection and drug resistance (2023)
Structures of PAF-AH from protozoan parasites and humans belong to the same family of enzymes and have a similar three-dimensional fold. However, they show subtle variations in residue composition, secondary structure composition, substrate-binding channel volume, and conformational stability. These differences result in certain specific molecules being potent inhibitors of the target enzymes while simultaneously having weaker binding to human homologue.
Keyphrases
- trypanosoma cruzi
- endothelial cells
- molecular dynamics
- signaling pathway
- induced pluripotent stem cells
- small molecule
- high resolution
- molecular dynamics simulations
- pluripotent stem cells
- anti inflammatory
- single molecule
- mass spectrometry
- transcription factor
- binding protein
- plasmodium falciparum
- structural basis