Skip to main content
. 2023 Jan 26;19(1):e1011131. doi: 10.1371/journal.ppat.1011131

Fig 2. Filtering and verification of RG4-binding repurposed drugs.

Fig 2

(A) Flow chart depicting the process of in silico identification and in vitro verification of RG4-based drugs. The number of drug candidates after each filtering step is shown, and TPT and BBM are finally identified. (B) Molecular docking of five drug candidates with TERRA-derived RG4 structures (PDB: 2KBP & 2M18) using Discovery Studio software. (C-H) Binding affinity of TPT (C-E) and BBM (F-H) to the WT (left panel) or mutant (right panel) RG4 RNA of TERRA (C, F), PQS-675 of Tmprss2 (D, G), and PQS-2302 of Ace2 (E, H) by microscale thermophoresis (MST) analysis. The dose−response curve for interactions was fitted with the dissociation constant (KD) model. Data are shown as mean ± SEM, n = 3. Fig 2A was created using Microsoft PowerPoint and Adobe Illustrator.