Selected article for: "affinity prediction and binding prediction"
Author: Bo Ram Beck; Bonggun Shin; Yoonjung Choi; Sungsoo Park; Keunsoo Kang
Title: Predicting commercially available antiviral drugs that may act on the novel coronavirus (2019-nCoV), Wuhan, China through a drug-target interaction deep learning model
  • Document date: 2020_2_2
    • ID: cszqykpu_12
    Snippet: Among the prediction results, atazanavir was predicted to have a potential binding affinity to bind to Table 2 -6) . Also, ganciclovir was predicted to bind to three subunits of the replication complex of the 2019-nCoV: RNA-dependent RNA polymerase (Kd 11.91 nM), 3'-to-5' exonuclease (Kd 56.29 nM), and RNA helicase (Kd 108.21 nM). Lopinavir and ritonavir, active materials of AbbVie's Kaletra, both were predicted to have a potential affinity to .....
    Document: Among the prediction results, atazanavir was predicted to have a potential binding affinity to bind to Table 2 -6) . Also, ganciclovir was predicted to bind to three subunits of the replication complex of the 2019-nCoV: RNA-dependent RNA polymerase (Kd 11.91 nM), 3'-to-5' exonuclease (Kd 56.29 nM), and RNA helicase (Kd 108.21 nM). Lopinavir and ritonavir, active materials of AbbVie's Kaletra, both were predicted to have a potential affinity to 2019-nCoV helicase (Table 3 ) and are suggested as potential MERS therapeutics (15) . Recently, approximately $2 million worth of Kaletra doses were donated to China (16) , and a previous clinical study of SARS by Chu et al. (17) may support this decision (17).

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