A computational approach of antibiotics as novel drug target for Japanese encephalitis virus NS helicase/nucleoside triphosphatase

Japanese encephalitis (JE) is a mosquito-borne viral neurologic disease caused by an RNA virus-Japanese encephalitis virus (JEV) of JEV serocomplex belonging to genus Flavivirus of family Flaviviridae. For the purpose of the study, we selected few candidate compounds belonging to Aminoglycosides and Tetracycline category that are known to be protein synthesis inhibitors. JEV NS3 helicase/NTPase (PDB ID: 2Z83) protein was the receptor of interest. Drugs Kanamycin, Rolitetracycline, and Doxycycline showed better binding energy compared to two study standards-Ribavarin and Minocycline tetracycline. Interacting bonds were formed in all three domains of NS3 helicase/NTPase, particularly in motifs I and VI of helicase which is important in viral replication. Hence, we can state that on the basis of virtual screening, the antibiotics could be suggested as a possible novel therapy against JE disease which warrants further in vitro screening.