Biomolecules & Therapeutics : eISSN 2005-4483 / pISSN 1976-9148

Table. 1.

Table 1 Analysis of N-protein docking results and prioritized compound sets

Compounds Binding free energy (kcal/mol)
6M3M 6VYO 6WKP 7CDZ average
Ergotamine –8.1 –7.1 –7.4 –7.8 –7.6 ± 0.4
Abiraterone –7.1 –7.4 –6.9 –7.3 –7.2 ± 0.2
Digoxin –7.1 –7.2 –7.1 –7.2 –7.2 ± 0.1
Lumacaftor –7 –7.2 –7.2 –7.1 –7.1 ± 0.1
Eltrombopag –7.5 –7.4 –6.6 –7 –7.1 ± 0.4
Abiraterone acetate –7 –7.4 –6.8 –7.3 –7.1 ± 0.3
Proscillaridin –7.4 –7 –6.8 –7.2 –7.1 ± 0.3
Atovaquone –6.9 –7.4 –6.8 –6.9 –7.0 ± 0.3
Olaparib –7.2 –6.5 –6.9 –7 –6.9 ± 0.3
Fluspirilene –7.1 –7 –6.7 –6.4 –6.8 ± 0.3
Difenoxin –6.8 –6.6 –6.6 –6.9 –6.7 ± 0.2
Quinestrol –6.9 –7.3 –6.2 –6.5 –6.7 ± 0.5
Norethynodrel –6.8 –7 –6.2 –6.8 –6.7 ± 0.3
Venetoclax –7.3 –6.3 –6.5 –6.5 –6.7 ± 0.4
Biomolecules & Therapeutics 2022;30:427~434 https://doi.org/10.4062/biomolther.2022.037
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