Paradigm of Well-Orchestrated Pharmacokinetic Properties of Curcuminoids Relative to Conventional Drugs for the Inactivation of SARS-CoV-2 Receptors: An In Silico Approach

To cure SARS-CoV-2 infection, the repurposing of conventional antiviral drugs is currently advocated by researchers, though their action not very effective. The present study, based on in silico methods, was intended to increase therapeutic potential drugs: hydroxychloroquine (HCQ), favipiravir (FAV), and remdesivir (REM) using curcuminoids like curcumin (CUR), bisdemethoxycurcumin (BDMC), demethoxycurcumin (DMC) as adjunct against receptor proteins, namely main protease (Mpro) S1 receptor-binding domain (RBD). exhibited similar pharmacokinetic properties drugs. webserver (ANCHOR) predicted greater protein stability for both receptors with a disordered score (<0.5). molecular docking study showed that binding energy highest (−27.47 kcal/mol) BDMC toward Mpro receptors, while CUR (−20.47 DMC (−20.58 lower than HCQ (−24.58 kcal/mol), FAV (−22.87 REM (−23.48 kcal/mol). In case S1-RBD, had (−38.84 lowest (−23.77 whereas (−35.87 (−38.44 (−28.07 (−30.29 Hence, this envisages these could be employed combination therapy disrupt proteins.