Computational Screening of Toxicity, Drug-like Molecule, and Bioactivity from Green Tea Phytochemical as Antiviral Candidate

Abstract

Viruses are obligate intracellular parasites because they can infect cells and hijack the gene expression process in host cells for the replication of viral genetic material. The mechanism of the viral life cycle is generally divided into three stages such as viral entry, genome replication, budding, and release. Several viruses can inhibit interferon signaling through the JAK/STAT pathway such as human cytomegalovirus (HCMV), HIV-1, murine hepatitis virus (MHV), severe acute respiratory syndrome coronavirus (SARS-CoV-2), & vaccinia virus (VACV). Antiviral drugs can be developed by studying how viruses evade the immune response, several drugs have been discovered but most of them are synthetic compounds that produce the use effect. Screening of drug candidate compounds can be carried out on a specific natural ingredient such as green tea used in this study. Scientific evidence of compounds from green tea as an antiviral agent is very little, this study is important because it is to screen the potential of compounds from green tea as an antiviral agent through computational approach. Green Tea phytochemical compounds are predicted to be antiviral based on in silico analysis. Antiviral candidate are EGCG, ECG, EGC, EC, & Catechin, they are drug-like molecules and have positive probabilities as antiviral agents.

Interaction of Cynaroside from Orthosiphon Aristatus Plant Extract on TNF Alpha as a Stimulant in Malaria and Asthma

“…This suggests the potential of cynaroside in inhibiting TNF Alpha activity involved in inflammation and excessive immune response in both diseases. [33][34][35] In the Protein Plus analysis, an interaction between cynaroside and TNF Alpha was identified. This interaction has the potential to affect the TNF Alpha signaling pathway and regulate the immune response involved in inflammation in malaria and asthma.…”

“…This comparison suggests that natural compounds, such as cynaroside in this study, may have similar effects in regulating TNF Alpha and reducing inflammation in diseases involving excessive immune response. 13,33,35 Additionally, study B investigated the effects of compound Y on TNF Alpha activity in inflammatory bowel disease. The results of study B demonstrated that compound Y can inhibit the TNF Alpha signaling pathway and reduce inflammation symptoms in an animal model of inflammatory bowel disease.…”

“…This comparison suggests that natural compounds, like cynaroside, may have similar potential in regulating TNF Alpha response in inflammatory diseases, including malaria and asthma studied in this research. 14,27,35 Furthermore, study C investigated the interaction between compound Z and TNF Alpha in the treatment of autoimmune diseases. The results of study C showed that compound Z has the ability to inhibit TNF Alpha expression and activity, thereby reducing inflammation and tissue damage in an animal model of autoimmune disease.…”