Molecular docking and simulation studies of antiviral compounds against to fowl adenovirus type 4 receptor from - Psittacine bird - Melopsittacus undulates

Abstract

The adenovirus family of adenoviridae includes mammalian adenoviruses (mastadenoviruses) and avian adenoviruses (avi-adenoviruses), which are known to cause cold or flu and HPS. A wide variety of afflicted birds, including chicken, pigeon, and psittacine species, have been reported to carry aviadenoviruses. Fowl adenovirus, which causes hydropericardium syndrome (FAdV). The disease is highly contagious and quickly spreads from one flock to another and from one farm to another using mechanical and horizontal transmission paths as well as contaminated litter. The drug Dehydroepiandrosterone (DHEA) is reported to have a significant binding affinity against the 7W83 receptors (-7.7 kcal/mol) respectively. The study focuses on the therapeutic methodology development of Adenoviral infection. In order to discover useful combinations of the drugs in practice, molecular docking methods were also used to match fowl adenovirus protein with anti-viral compounds. To further support the docking effects, extensive molecular dynamics simulations were also used.

Keywords: Adenovirus; Dehydroepiandrosterone; Hydropericardium syndrome; Melopsittacus undulates; Molecular docking; Molecular simulation.