Table 4.
Binding energies of the molecular interactions of studied AVRd and harpagide 5-O-β-D-glucopyranoside with HMR-1, HMR-2, TIS and TTS mRNAs of the S protein of the omicron variant of SARS-CoV-2.
| Compound/AVRd |
HMR-1 |
HMR-2 |
TIS |
TTS |
|---|---|---|---|---|
| Binding Energy (kcal/mol) | ||||
| Dolutegravir | −5.62 | −5.30 | −6.24 | −6.24 |
| Harpagide 5-O-β-D-glucopyranoside | −0.45 | −0.34 | −1.68 | −2.89 |
| Lamivudine | −3.87 | −3.28 | −5.18 | −4.46 |
| Lenacapavir | −2.91 | −2.86 | −4.63 | −5.13 |
| Tenofovir-disoproxil fumarate | −1.55 | −0.83 | −2.92 | −2.19 |
TIS: translation initiation site; TTS: translation termination site; HMR1: high mutation region-1; and HMR2: high region mutation-2 mRNAs.