In-silico screening of Schistosoma mansoni Sirtuin1 inhibitors for prioritization of drug candidates.

ABSTRACT: Schistosomiasis is a common, neglected parasitic disease caused by Schistosoma mansoni. Availability of two specific drug oxamniquine and praziquintel for treatment of the disease is a major concern. Recently NAD+ dependent lysine deacetylases have been identified as new drug targets in pathogens. Sirtuins are NAD+ dependent lysine deacetylases that are involved in a wide variety of vital cellular processes. Amongst them, members of sirtuin's class1 proteins are considered to be main target of the drugs. Sirtinol and Salermide are two known inhibitors of Schistosoma mansoni Class1sirtuin which is a protein with unknown 3-D structure. Here, we investigate molecular insights of interaction between modeled sirtuin1 structure and it's inhibitors, that were derivatives of Sirtinol and Salermide

SUBMITTER: Singh R 

PROVIDER: S-EPMC4781818 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature