Potential drugs for the spike protein of SARS CoV-2 were docked in the active site of alpha and delta variants using ICM-Pro (Molsoft L.L.C.). The estimated binding energy was assessed computationally and binding affinity was calculated using delta G = -RTlnK. The potential drugs were grouped into drug-like and nondrug-like categories.

Estimated binding energies and calculated binding affinities of potential drugs with SARS CoV-2 spike protein, alpha and delta variants

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ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.