Table 1.
Therapeutics against NPs of human CoVs.
Compounds | Virus | Binding sites | Mechanism | Assay system or simulation modelling | Dose | Reference |
---|---|---|---|---|---|---|
H3, 6-chloro-7-(2-morpholin-4-yl-ethylamino) quinoxaline-5,8-dione | HCoV-OC43 | Phe66, Tyr124, Arg164, Phe57, Ala171 | Decrease of RNA-binding capacity of NP | In vitro assay, surface plasmon resonance (SPR) | 2 mM | [44] |
PJ34, N-(6-oxo-5,6-dihydrophenanthridin-2-yl)(N,N-dimethylamino)acetamide hydrochloride | HCoV-OC43 | Ser 64, Phe 66, Tyr 124, Tyr 126, His 104. | Reduction of the RNA-binding capacity of NP | Cell based infection | 10 μM | [36] |
(−)-catechin gallate | SARS-CoV | N/A | Attenuation of NP binding affinity to RNA oligonucleotide | In vitro assay, a nanoparticle-based RNA oligonucleotide biochip system. | *IC50 of 0.05 μg/ mL | [45] |
(−)-gallocatechin gallate. | SARS-CoV | N/A | Attenuation of NP binding affinity to RNA oligonucleotide | In vitro assay, a nanoparticle-based RNA oligonucleotide biochip system. | *IC50 of 0.05 μg/ mL | [45] |
P3, 5-benzyloxygr- amine | MERS-CoV | Monomer1: W43, N66, N68, S69, T70, N73, F135; Monomer2: V41, G104, T105, G106, A109, T137 | Resulting in abnormal N protein oligomerization | Cell based infection | #EC50 of 32.1 μM | [48] |
ZINC00003118440, theophylline derivatives | SARS-CoV-2 | Most potent hits: Gln72, Val73, Pro74, Asn76, Thr136, Thr166 | Possible inhibitors of RNA-NP NTD interaction | Molecular dynamics simulation | N/A | [50] |
ZINC0000146942, pyrimidone derivatives | SARS-CoV-2 | Most potent hits: Gly70, Val73, Gln84 | Possible inhibitors of RNA-NP NTD interaction | Molecular dynamics simulation | N/A | [50] |
5817 (from Asinex databases) | SARS-CoV-2 | Most potent hits: Ala55, Arg149, Asn77, Asn153, Asn154 | Interaction with NP NTD | Molecular dynamics simulation | N/A | [51] |
6799 (from Asinex databases) | SARS-CoV-2 | Most potent hits: Ala55, Arg107, Asn75, Asn153, Asn154 | Interaction with NP NTD | Molecular dynamics simulation | N/A | [51] |
Zidovudine (from PubChem database) | SARS-CoV-2 | Most potent hits: Ala55, Asn75, Asn77, Arg 107, Thr148, Asn150, Asn153, Asn154, | Interaction with NP NTD | Molecular dynamics simulation | N/A | [51] |
*IC50, half maximal inhibitory concentration.
# EC50, half maximal effective concentration.