RT Journal Article
SR Electronic
T1 <em>Communication</em>: Theoretical Insights from Binding of <em>Neigleria fowleri</em> Cell Division Proteins with Amoebicidal Quassinoids
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 367912
DO 10.1101/367912
A1 Zarrin Basharat
A1 Shumaila Zaib
A1 Azra Yasmin
YR 2018
UL http://biorxiv.org/content/early/2018/07/14/367912.abstract
AB The ameboflagellate Neigleria fowleri, also known as brain eating amoeba is responsible for fatal primary amoebic meningoencephalitis (PAM) infection in humans. Cell division proteins (CDPs) in N. fowleri have been uncharacterized until now, despite their importance in the initiation of cell division and proliferation of the pathogen. Here, we report characterization and structural assembly of eight such proteins associated with division and docking them with anti-amoebic quassinoid compounds. Quassinoids have been implicated as inhibitors of cell proliferation of amoeboid species as well as tumor cells. Here, they were screened computationally to find interaction mechanism as well as binding energies with CDPs of N. fowleri. The identified inhibitors could play a role in prevention of cell division and hence, stop N. fowleri growth and proliferation during infection. This study supports CDPs as a target for anti-amoebic intervention and identifies quassinoid phytochemical compounds as suitable for optimization into a new therapy against N. fowleri.