Computational Repurposing Model of Curcumin as a Drug

Abstract

Viral diseases continue to be a public threat on a global scale day by day and the world is in a continuing battle with the novel deadly viral Diseases and with no prompt medicines accessible the scourge brought about by the disease is expanding step by step. The ongoing need to develop new antiviral drugs with fewer side-effects and that are effective against viral pathogens has spurred the research community to invest in various drug discovery strategies, one of which is drug repurposing the methods of finding most promising existing compounds which has able to give best positive effects against viral infections. We present a docking?based screening using a quantum mechanical scoring of drug Curcumin with Proteins with PDB id’s 4B3V, 5LK0, 6BM8, 4QUZ, 6SJV, 1JLF, 5EG7, 7K40 could display antiviral activity against Rubella, Hanta, Herpes, Noro, papilloma, HIV, Influenza, COVID19. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the viral disease. We hope that repurposing of the drug from our recommendation may contribute to the rational drug design against the above viruses.

Curcumin as a natural potential drug candidate against important zoonotic viruses and prions: A narrative review

“…The whole IAV genome codes for different proteins including NA (neuraminidase), RNA polymerases (PB1, PB2, and PA), HA, M1 (matrix proteins), M2 (ion channel), and NP (nucleoprotein) (Hutchinson, 2018). In silico studies targeting NA, PB2, HA, M1, and M2, as well as different signaling pathways (AKT1, TP53, MAPK1, and RELA) illustrated that curcumin and its different derivatives act as acceptable inhibitors of these proteins and pathways (Jayasree et al, 2014; Kim, Choi, Kim, Kang, & Kim, 2021b; Richart et al, 2018; Roy et al, 2021; Satpathy et al, 2012; Singh & Misra, 2012).…”

“…Establishment of molecular techniques for assessment of anti-HTNV compounds revealed that curcumin could decrease viral RNA levels in different organs of mouse animal model (Wei et al, 2013). One in silico approach also noted acceptable docking results for curcumin against HTNV envelope glycoprotein (Roy et al, 2021).…”