Insilico Screening of Bioactive Compounds in Bryophyllum Pinnatum Leaves Against Sars-Cov 2 Nucleocapsid

ABSTRACT The COVID-19 pandemic has posed significant challenges to global health systems, with the virus binding to the ACE2 receptor, affecting humans. The miracle leaf (Bryophyllum pinnatum) known for its broad pharmacological properties. This study evaluated the interaction patterns and binding affinity of compounds isolated from Bryophyllum pinnatum leaves against the SARS-CoV-2 nucleocapsid protein using Computer-Aided Drug Design (CAAD). Also, effect of the leaf on the life span of Drosophila melanogaster was investigated. Flies of both sexes (1-3days old) were administered varying concentration 50,100 and 200mg/kg of Bryophyllum pinnatum leaves for 14 days, to assess the survival rate and identify the safe concentration levels. Result from molecular docking showed four compounds including, Friedelin (-8.9), Bryophyllin B (-8.8), Alpha-amyrin (-8.6) and Stigmasterol (-8.4) exhibiting high binding affinities when compared to the reference drug Remdesivir which showed a moderate binding affinity (-7.2) against SARS-CoV-2 nucleocapsid protein. The highest mortality rate was recorded on day 14, in Drosophila melanogaster group supplemented with 200mg/kg of the leaf. The survival rate was concentration dependent. Bryophyllum pinnatum phytocompound demonstrates potential as an antiviral agent against SARS-CoV-2, specifically targeting the nucleocapsid protein from their interactions and binding scores. Results showed that diet containing 50mg/kg of Bryophyllum pinnatum can extend the lifespan of the fruit fly.