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Molecular structure of the drugs isolated through our computational screening process: (a) Actinomycin D (C62H86N12O16 1255.438 g·mol–1). (b) Mithramycin (also known as Plicamycin) (C52H76O24 1085.156 g·mol–1). (c) Linaclotide (C59H79N15O21S6 1526.73 g·mol–1). (d) Dihydroergotamine Mesylate (C33H37N5O5 583.689 g·mol–1).
