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Caco-2: Predicting drug permeability and relationship with COVID-19 infected Caco-2 cells

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Academic year: 2021

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Figure 1. Transport mechanisms in Caco-2 cells and ACE2 and TMPRSS2 receptors
Figure 2. Membrane fusion and endocytosis mechanisms of viral cell entry showing potential receptor inhibitory sites: S-RBD, TMPRSS2, ACE2, M Pro and translation Bojkova [26] used quantitative translatome and proteome proteomics to obtain the cellular res
Table 1. P app (AB) for Caco-2 cells [6] for 52 widely structurally diverse drugs: eq 3(b)
Table 2. P app (AB) and intrinsic P app (AB) for Caco-2 cells [24] for 58 drugs: eqs 5(a), 5(b) and 5(d) P(AB) 10^-6 cm/s P (AB) Intrinsic10^-6 cm/s ΔG desolv,CDSkcal/mol ΔG lipo,CDSoctanolkcal/mol Dipole MomentD Molec Volumecm3 /mol HOMO-LUMOgap eV Aceta
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