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Artificial Intelligence algorithms are used to identify “progeny†drugs that are similar to the “parents†already being tested against COVID-19 These algorithms assess similarity not only by the molecular make-uof the molecules, but also by the “context†in which specific functional groups are arrangedand/or by three-dimensional distribution of pharmacophores The parent-progeny relationships span same-indication drugs (mostly antivirals) as well as those in which the “progenies†have different and perhaps less intuitive primary indications (e g , immunosuppressant or anti-cancer progenies from antiviral parents) The “progenies†are either already approved drugs or medications in advanced clinical trials – should the currently tested “parent†medicines fail in clinical trials, these “progenies†could be, therefore, re-purposed against the COVID-19 on the timescales relevant to the current pandemic /div
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Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution
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