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. 2021 Feb 19;26(4):1100. doi: 10.3390/molecules26041100

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© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Frontier orbital for (a) phenazopyridine; (b) dihydrogambomic acid; (c) remdisivir; (d) Niclosamide; (e) Digitoxin; (f) digoxin; (g) salinomycin. HOMO: highest occupied molecular orbital. LUMO: lowest unoccupied molecular orbital.