Targeting monkeypox virus (MPXV): strategies for molecular docking studies on protein inhibition

In the year 2022, the outbreak of monkeypox virus (MPXV) occurred in the various countries of Africa, particularly Central and West Africa, North America, South America, Europe, and other countries. Without any delay it spread across more than 100 countries infecting around 116,015 people causing around 255 deaths. Monkeypox is a major public health issue, and it is important to search for new therapeutic approaches. This review article is a review of molecular docking studies to identify possible protein inhibition approaches against Monkeypox virus. The exploration on the molecular architecture of the main viral proteins and their relationships with the host cell, emphasizing how these interactions are important in the viral cycle. By gathering data from multiple molecular docking studies, the evaluation of how effective different structural elements are in disrupting these protein interactions is conducted. The results of the analysis reveal how narrowed the focus of molecular interventions is, which holds the promise for the development of antiviral therapies for Monkeypox (Mpox). Not only does this review update the current understanding of the pathophysiology of Monkeypox, but it also provides a basis for more research to deal with this new viral threat. It will be important for the design of inhibitors that can block the replication and dissemination of MPXV to understand the mechanisms of action of the viral proteins and their interactions with the host cell.