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The emerging mosquito-borne Chikungunya virus (CHIKV) infection is a massive threat in tropical areas and is rapidly expanding towards the temperate zones. This virus is causing recent epidemics worldwide, predominantly in Europe and North America. Moreover, CHIKV has a mounting impact on persons with possibly painful arthritis. Millions of positive cases have already been recorded in more than 100 countries worldwide. This virus is also capable of infecting new areas by travelers, which has made it more dreadful. However, for the dearth of approved therapeutics or vaccines to prevent or control the virus, it is essential to identify new and effective medicinal compounds to address this. Therefore, the non-structural protein nsP3 macro domain, nsP2 protease, and envelope proteins responsible for viral replication are the new target sites for therapeutic development. Mushrooms are abundant in bioactive compounds with antiviral properties. Thus, we performed molecular docking (MD) and dynamics simulation to identify the top candidates for nsP3 macro domains, nsP2 protease, and envelope glycoprotein complex inhibitors, as well as to predict possible therapeutic candidates. We then predicted the drug similarity for the best candidates based on higher binding affinity. Our findings suggest that mushroom-derived heliantriol F, semicochliodinol A, and semicochliodinol B are the best inhibitors. Based on the ligand, the predicted drugs allylestrenol (DB01431), calcitriol (DB00136), calcidiol (DB00146), benzonatate (DB02659), and gallamine triethiodide (DB00459) are recommended as alternative therapies for CHIKV.

The Marburg virus (MV) is a highly etiological agent of hemorrhagic fever in humans and has spread across the world, including America, Australia, Europe, and other Asian countries. MV is responsible for the occurrence of the most dangerous known human diseases, with previous outbreaks demonstrating high pathogenicity and a human death rate of (23–90) %. Despite the discovery of MV over 50 years ago, there are no licensed preventative or therapeutic countermeasures available. Besides, this virus frequently counteracts immune responses through multifunctional VP35 and VP40, which are required for viral RNA synthesis, assembly, and structure; thus, these two proteins are possible therapeutic targets. To develop candidate therapeutics, different natural products containing bioactive compounds are a suitable option. In addition, bioactive substances with antiviral activity are found in traditional plants such as mushrooms. Thus, we used a systematic screening technique to identify the best candidates for VP40 and VP35 inhibitors, as well as to anticipate potential treatment possibilities for developing MV. Finally, the results of the present study suggest that Semicochliodinol B, found in mushroom-derived fungi, was the best inhibitor. The predicted drugs based on the ligand, benzonatate (DB00868), mycophenolate mofetil (DB00688), gallamine triethiodide (DB00483), capreomycin (DB00314), and latamoxef (DB04570) could be exploited and developed as an alternative or complementary therapy for the treatment of MV.