A Probable Anti-COVID Phytochemical (1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione) Screened Computationally from the Rhizome of Curcuma longa

The devastating nature of the SARS-CoV-2 pandemic has fostered need for potent therapeutics to manage or curb disease’s severity. As a response, several studies on drug repurposing, vaccine design and optimizing natural phytochemicals are ongoing. This study aims at screening novel anti-COVID from rhizome Curcuma longa. A phytochemical library 50 nonubiquitous bioactive compounds longa was retrieved Dr. Duke’s ethnobotanical database (accessed 20 April 2021). in were docked against receptor binding domain (RBD) (PDB ID: 7EAM_1). Three compounds—quercetin; 1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione; cyclocurcumin, selected based their higher docking score than standard repurposed (Arbidol). further examined interactions 1,7-Bis-(4-hydroxyphenyl)-1-heptene-3,5-dione (BHHD) pocket as well its ADMET properties. Excellent interaction observed between atoms BHHD amino acid residues known foster viral entry into host. Furthermore, result impressive lead molecule. Therefore, this recommends investigation potency toxicity both cell lines animal models.