A study on catalytic and non-catalytic sites of H5N1 and H1N1 neuraminidase as the target for chalcone inhibitors

Applied Biological Chemistry

Table 5 The absorption profiles of chalcones as predicted by the software

Ligands	Water solubility	Caco2 permeability	Intestinal absorption (human)	Skin permeability	P-glycoprotein substrate	P-glycoprotein I inhibitor	P-glycoprotein II inhibitor
1a	− 4.140	1.426	93.706	− 2.315	No	No	No
1b	− 5.655	1.423	96.342	− 2.434	No	No	No
1c	− 4.798	1.570	93.360	− 2.483	No	Yes	No
2a	− 4.312	0.904	91.606	− 2.627	Yes	No	No
2b	− 5.636	1.636	95.062	− 2.327	No	Yes	No
2c	− 6.726	0.556	93.240	− 2.699	No	Yes	Yes
3a	− 2.601	0.949	100.000	− 2.683	No	No	No
3b	− 6.714	1.684	93.229	− 2.677	No	No	Yes
3c	− 6.342	1.078	95.102	− 2.678	No	Yes	Yes
4b	− 5.522	0.343	93.495	− 2.659	Yes	Yes	Yes