Towards a Treatment for Gulf War Illness: A Consensus Docking Approach.

ABSTRACT:

Introduction

Gulf War Illness (GWI) currently has no known cure and affects soldiers deployed during the Persian Gulf War. It is thought to originate from exposure to neurotoxicants combined with battlefield stress, and previous research indicates that treatment first involves inhibition of interleukin-2 and tumor necrosis factor alpha, followed by the glucocorticoid receptor. However, the off-target effects of pharmaceuticals hinder development of a drug treatment therapy.

Materials and methods

AutoDock 4.2, AutoDock Vina, and Schrodinger's Glide were used to perform consensus docking, a computational technique where pharmaceuticals are screened against targets using multiple scoring algorithms to obtain consistent binding affinities. FDA approved pharmaceuticals were docke

SUBMITTER: Jaundoo R 

PROVIDER: S-EPMC7029833 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature