Antioxidant properties and cytotoxic effects of Oxalis corniculata on human Hepatocarcinoma (Hep-G2) cell line: an in vitro and in silico evaluation

Gudasi, Sachin; Gharge, Shankar; Koli, Rahul; Patil, Kalpana

doi:10.1186/s43094-023-00476-2

Future Journal of Pharmaceutical Sciences

Table 6 Pharmacokinetic parameters

From: Antioxidant properties and cytotoxic effects of Oxalis corniculata on human Hepatocarcinoma (Hep-G2) cell line: an in vitro and in silico evaluation

QikProp Parameters	QPlog Po/W	QP logS	PSA	QPlog HERG	QPP Caco	QPP MDCK	QP log Khsa	QPlog BBB	HOA	CNS	RoF	RoT
Palmitic acid	5.194	− 5.353	50.521	− 3.22	241.0	135.1	0.507	− 1.344	3	− 2	1	0
8-oleic acid	5.934	− 6.396	50.56	− 3.66	240.5	134.8	0.78	− 1.576	1	− 2	1	1
Linoleic acid	5.824	− 6.367	50.55	− 3.651	240.5	134.9	0.77	− 1.50	1	− 2	1	1
Linolenic acid	5.785	− 6.457	50.56	− 3.744	240.3	134.7	0.785	− 1.446	1	− 2	1	1
Stearic acids	5.98	− 6.266	50.44	− 3.55	241.3	135.3	0.765	− 1.628	1	− 2	1	1
Tartaric acid	− 0.39	− 0.469	138.084	1.08	1.63	0.007	− 1.315	− 1.807	1	− 2	0	1
Citric acid	0.06	− 0.599	158.14	2.67	0.27	0.143	− 1.358	− 2.07	1	− 2	0	1
Acacetin	2.483	− 3.841	85.39	− 5.11	385.3	176.4	0.155	− 0.96	3	− 1	0	0
7,4′- diome apigenin	3.163	− 3.979	71.128	− 5.15	1272.2	641.7	0.175	− 0.48	3	0	0	0
P hydroxybenzoic	0.585	− 1.534	72.006	− 1.62	76.6	39.1	− 0.80	− 0.78	3	− 1	0	0
Vanillic acid	8.236	− 7.626	58.975	− 3.78	2057.9	1079.3	2.25	− 0.58	1	0	2	1
Syringic acid	0.963	− 1.591	86.5	− 1.59	82.72	42.5	− 0.71	− 0.96	3	− 1	0	0
Isoorientin	− 1.168	− 2.88	202.9	− 5.32	4.96	1.46	− 0.78	− 3.41	1	− 1	2	2
Isovitexin	− 0.535	− 3.065	181.4	− 5.44	12.50	4.34	− 0.61	− 2.87	2	− 2	1	2
Swertisin	0.053	− 3.459	167.86	− 5.53	22.39	8.15	− 0.57	− 2.78	2	− 2	1	2
Β-sitosterol	8.474	− 9.628	35.85	− 4.83	3845.1	2121.1	2.425	− 0.30	1	− 2	1	1
Betulin	5.92	− 6.856	40.01	− 3.815	1862.3	968.6	1.507	− 0.358	1	0	1	1
Ethyl gallate	0.174	− 1.822	100.8	− 4.09	114.8	47.6	− 0.583	− 1.55	3	0	0	0
5-hydroxy-7,8-dimethoxyflavone	3.074	− 3.656	69.65	− 4.86	1274.8	643.1	0.134	− 0.44	3	− 2	0	0
5-hydroxy-3′, 4′, 6, 7, 8pentamethoxyflavone	3.414	− 3.863	87.76	− 4.61	1732.2	865.5	0.06	− 0.53	3	0	0	0
4′-(beta-d-glucopyranosyloxy)-5-hydroxy-3,3′,7-trimethoxyflavone	0.694	− 3.673	174.8	− 5.53	46.11	17.7	− 0.60	− 2.67	2	0	2	1
Apigenin SP	1.636	− 3.35	99.6	− 5.08	116.76	48.5	− 0.02	− 1.42	3	− 2	0	0
5-hydroxy-3, 6, 7, 4′-tetra methoxyflavone SP	3.409	− 4.027	83.65	− 4.93	1859.7	967.3	0.11	− 0.456	3	0	0	0

PSA Prostate-specific antigen, HERG Human ether-a-go-go-related gene, MDCK Madin-Darby canine kidney, BBB blood brain barrier, CNS Central nervous system

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