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. 2016 Nov 25;21(12):1537. doi: 10.3390/molecules21121537

Table 1.

Selected top ranked drug candidates against Ebola generated by the CANDO platform.

Compound(s) Interaction Score Consensus Score (min) Protein Target Identifiers
enfuvirtide 2.0 7 GP2, VP35, 1ebo-F
vancomycin, bleomycin 2.0 10 GP1,2, pre-sGP, SGP, SsGP
octreotide, lanreotide, somatostatin 2.0 10 GP1,2, pre-sGP, SGP, SsGP
ubidecarenone (CoQ10) 1.6 7 GP1,2, GP2, VP24, VP35, VP40, 1ebo-F
unoprostone 1.3 10 GP1,2, VP35, VP24, 1ebo-F

The name of the compound, a measure of its binding strength or interaction score (range 0-2), its frequency of occurrence or consensus score, and the Uniprot short names or PDB identifiers of the protein targets that it binds to are given. The protein targets are GP2—envelope glycoprotein; VP35—polymerase cofactor VP35; 1ebo-F—membrane-fusion subunit from envelope glycoprotein GP2; pre-sGP—pre-small secreted glycoprotein; sGP—secreted glycoprotein; SsGP—super small secreted glycoprotein; and VP24—membrane-associated protein VP24. A combination of drugs that have broad specificity and/or are derived from disparate functional classes (for example: enfuvirtide and ubidecarenone (CoQ10) AND vancomycin OR octreotide/lanreotide/somatostatin) may be the most promising combinations to pursue for further preclinical and clinical validation.