Abstract :Abstract
In silico based drug design is one of the potential techniques to discover new drug leads against essential drug targets. Ebola viruses (EBOV) of Filo viruses, consists of five species, viz. Zaire, Sudan, Ivory Coast, Bundibugyo, and Ravn, spreading hemorrhagic fatal fever worldwide. The reservoirs are yet to be confirmed, but the fruit bats have been considered to be the possible hosts for the serious transmissions. EBOV pathogenesis depends on viral recognition, attachment and transmission of virion to host cell and lysis. Recent research reveals that apart its own proteins (to be named, NP, VP35, VP40, glycoprotein (GP), sGP, VP30, VP24, and RNA-dependent RNA polymerase (L)), the EBOV use Niemann-Pick C1 for the transmission. In this study, a preliminary assessment of the natural compounds (from Ayurvedic plants) based on bioavailability related criteria, were docked with potential drug targets of Ebola virus. Out of the seventeen leads, six (neoandrographalide, fumaric acid, vasicoline, andrographalide and andrograpanine) showed prominent binding to active sites of GPs and NPC1s proteins. These drugs bind to the residues responsible for native conformation of the viral proteins (GPs and NPC1s). Since, the natural compounds show minimal side-effects compared to the synthetic ones, the use of these compounds or formulations possessing them through a proper delivery platform or as leads for future drugs will upgrade the mode of Ebola treatment.