AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors.
Gkekas I, Katsamakas S, Mylonas S, Fotopoulou T, Magoulas GEpsilon, Tenchiu AC, Dimitriou M, Axenopoulos A, Rossopoulou N, Kostova S, Wanker EE, Katsila T, Papahatjis D, Gorgoulis VG, Koufaki M, Karakasiliotis I, Calogeropoulou T, Daras P, Petrakis S
J Chem Inf Model. 2024 Nov 13. doi: 10.1021/acs.jcim.4c01110.
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Plasmids from Article
| ID | Plasmid | Purpose |
|---|---|---|
| 167012 | pDONR221-ACE2 receptor 19-615 | Gateway-compatible Entry vector encoding ACE2 receptor (aa19-615) interacting with spike (S1) RBD domain from SARS-CoV-2 |
| 167013 | pDONR221-SARS-CoV-2 S1 RBD | Gateway-compatible Entry vector encoding spike (S1) RBD domain from SARS-CoV-2 |