PMC:7784829 / 9573-10412 JSON TXT

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Id	Subject	Object	Predicate	Lexical cue
T75	0-219	Sentence	denotes	The in-silico prediction studies were performed, using pkCSM online prediction platforms (Pires et al., 2015), to assess the theoretical pharmacokinetic parameters of the ligands to predict the drug-likeness of ligands.
T76	220-408	Sentence	denotes	The software calculated pharmaceutically relevant properties such as H-bond donor, H-bond acceptor, octanol-water partition coefficient (LogP), surface area, and number of rotatable bonds.
T77	409-839	Sentence	denotes	In addition the ADME parameters of the curcumin analogs such as water solubility, Caco2 permeability, human intestinal absorption, skin permeability, P-glycoprotein I and II inhibition, volume of distribution, fraction of unbound drug, Blood Brain Barrier and CNS permeability, cytochrome P450 (CYP3A4 and CYP2C9 inhibition) inhibition, total clearance, action as renal OCT2 (organic cation transporter 2) substrate were analysed.

Id	Subject	Object	Predicate	Lexical cue	tao:has_database_id
210	704-710	Gene	denotes	CYP3A4	Gene:1576
211	715-721	Gene	denotes	CYP2C9	Gene:1559
212	779-783	Gene	denotes	OCT2	Gene:6582
213	785-813	Gene	denotes	organic cation transporter 2	Gene:6582
214	511-516	Species	denotes	human	Tax:9606
215	320-327	Chemical	denotes	octanol	MESH:D000442
216	328-333	Chemical	denotes	water	MESH:D014867
217	448-456	Chemical	denotes	curcumin	MESH:D003474
218	473-478	Chemical	denotes	water	MESH:D014867
219	491-496	Chemical	denotes	Caco2