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Fig. 2 | Clinical Epigenetics

Fig. 2

From: Predictive biomarkers and potential drug combinations of epi-drugs in cancer therapy

Fig. 2

Oral bioavailability and target prediction of PRMT inhibitors, EZH2 inhibitors, and LSD1 inhibitors. We used the online tool SwissADME (https://www.sib.swiss/) to predict the oral bioavailability and target prediction of seven epi-drugs including PRMT inhibitors, EZH2 inhibitors, and LSD1 inhibitors. Oral bioavailability is an essential parameter for determining the efficacy and side effects of new and developing medications. The prediction of oral bioavailability is displayed for a rapid appraisal of drug-likeness. Six physicochemical properties are taken into account: lipophilicity, size, polarity, solubility, flexibility and saturation. The colored zone is the suitable physiochemical space for oral bioavailability. The pink area represents the optimal range for each property. Lipophility: -0.7 < XLOGP3 <  + 5.0; size: 150 g/mol < MV < 500 g/mol; polarity: 20Å2 < TPSA < 130Å2; insolubility: 0 < Log S (ESOL) < 6; insaturation: 0.25 < fraction Csp3 < 1; and flexibility: 0 < Num. rotatable bonds < 9. We also used the website to predict the most probable macromolecular targets of a small molecule, assumed as bioactive of each inhibitor. The pie chart of each inhibitor displays the summary of predication target classes, including kinase, writer, eraser, family A G protein coupled receptor, phosphodiesterase, protease and so on

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