Computational study of some amoebicidal phytochemicals against heat shock protein of Naegleria fowleri

Naegleria fowleri (commonly known as brain eating amoeba) is a causative agent of brain infection known as naegleriasis or primary amoebic meningoencephalitis. Structure based computational screening for searching potent antiamoebic phytochemicals against the target heat shock protein (Hsp) was attempted. It is a quick method for discovery of inhibitors against the therapeutic target of interest. A set of eleven amoebicidal molecules were screened against Hsp70 of brain eating amoeba. Hsp70 was chosen because it plays an imperative role in protein folding, protection from stress and regulation of cell machinery, and may serve as a good drug target. Structure based virtual screening indicated bergenin and (−)-epigallocatechin gallate (EGCG) as most potent binders of this protein. These compounds need to be further tested for obtaining detailed insights.