Drug repurposing to tackle parainfluenza 3 based on multi-similarities and network proximity analysis.

ABSTRACT: Given that there is currently no clinically approved drug or vaccine for parainfluenza 3 (PIV3), we applied a drug repurposing method based on disease similarity and chemical similarity to screen 2,585 clinically approved chemical drugs using PIV3 potential drugs BCX-2798 and zanamivir as our controls. Twelve candidate drugs were obtained after being screened with good disease similarity and chemical similarity (S > 0.50, T > 0.56). When docking them with the PIV3 target protein, hemagglutinin-neuraminidase (HN), only oseltamivir was docked with a better score than BCX-2798, which indicates that oseltamivir has an inhibitory effect on PIV3. After the distance ( Z d c ) between the drug target of 14 drugs and the PIV3 disease target was measured by the network proximity me

SUBMITTER: Chen X 

PROVIDER: S-EPMC11473393 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature