Inhibition of monkeypox polymerase holoenzyme and methyltransferase using bioactive compounds of black tea: a computational approach.

ABSTRACT: The WHO declared monkeypox a global health emergency due to its rapid spread. In response, the FDA authorized emergency use of the Jynneos vaccine despite its adverse effects, while smallpox antivirals, repurposed for monkeypox treatment, have shown limited efficacy, highlighting the need for better therapeutics that are biocompatible, less toxic, and more accessible. Tea bioactives, known for their antiviral properties, were evaluated using an in silico approach to target viral enzymes: polymerase holoenzyme and methyltransferase. A total of 68 bioactives, mainly polyphenols from tea, were analyzed through molecular docking. Among them, digalloylprocyanidin B2, TSB, and NTF showed the lowest binding energies of -9.6441 kcal mol^-1, -9.1740, kcal mol^-1, and - 9.1563 kc

SUBMITTER: Mumtaz M 

PROVIDER: S-EPMC12494771 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature