Table 4.

Computational approaches to predict ligand–receptor binding and structure‐based drug design for COVID‐19 management

Nanomaterial	Size	Strategy	Ligand–receptor binding results	Potential application	Ref.
Iron oxide nanoparticles	N/r a)	Nano‐mineral structure of Fe2O3 b) and Fe3O4 c)	Interactions with S1‐RBD d) of SARS‐CoV‐2 e)	Repurposing medication	[ 75 ]
PolyP f) /Silica nanoparticles	210 ± 40 nm	Optimized polyP f) encapsulated by SiNPs g)	Inhibition of binding of ACE2 h) to S‐protein SARS‐CoV‐2 e) , at a physiological solution	Immunologic agents	[ 76 ]
Gold nanoparticles	N/r a)	Peptide‐functionalized gold nanoparticles	More stable complex with RBD d) of SARS‐CoV‐2 e) than ACE2 h) .	Antiviral agents	[ 77 ]
Nano‐sized formazans	23.75 ± 7.16 nm	Formazan analogs by dithizone and α‐haloketones reaction	Inhibition of SARS‐CoV‐2 e) chymotrypsin‐like protease, at a physiological solution	Antiviral agents	[ 78 ]
L‐PLGA NPs i)	N/r a)	Optimized Remdesivir‐loaded L‐PLGA NPs i)	Interactions Lisinopril‐ACE1 g) and remdesivir‐intracellular targeting protein RdRp j)	Antiviral therapy	[ 79 ]
Silver nanoparticles		Artemisinin, Artemether, and Artesunate delivery by silver nanoparticles	Interactions between negative charges of oxygen atoms of drugs with Ag surface	Antiviral drugs	[ 80 ]

^a)Not reported

^b)Iron(III) oxide or magnetite

^c)Iron(II,III) oxide or hematite)

^d)Chimeric spike‐receptor‐binding domain

^e)Novel coronavirus

^f)Ployp

^g)Silica nanoparticle

^h)Angiotensin‐converting enzyme inhibitor 1 or 2

ⁱ⁾Lisinopril covalently grafted onto poly(lactic‐co‐glycolic acid) nanoparticles

^j)RNA‐dependent RNA polymerase.