Recent advance in treatment of osteoarthritis by bioactive components from herbal medicine

Li, Xu-zhao; Zhang, Shuai-nan

doi:10.1186/s13020-020-00363-5

Chinese Medicine

Table 2 Pharmacokinetic parameters and drug-likeness properties prediction of herbal compounds with anti-OA activities

From: Recent advance in treatment of osteoarthritis by bioactive components from herbal medicine

No.	Herbal compounds	Botanical source	Water solubility (log mol/L)	Skin permeability (log Kp)	VDss (human) (log L/kg)	Total clearance (log ml/min/kg)	DL
1	2, 3, 5, 4′-Tetrahydroxystilbene-2-O-β-d-glucoside	Polygonum multiflorum Thunb.	− 3.227	− 2.735	− 0.109	0.219	0.16
2	Acetylshikonin	Lithospermum erythrorhizon Sieb.	− 3.022	− 3.188	0.084	0.336	0.41
3	Anemonin	Clematis L.	− 1.436	− 3.646	− 0.005	0.431	− 1.57
4	Arasaponin R1	Panax notoginseng (Burkill) F. H. Chen	− 2.765	− 2.735	− 0.239	0.497	0.24
5	Artesunate	Artemisia annua L.	− 3.125	− 2.734	0.286	0.973	− 0.39
6	Astragaloside IV	Astragalus membranaceus (Fisch.) Bge.	− 2.693	− 2.735	− 0.507	0.147	0.05
7	Berberine	Hydrastis canadensis L., Phellodendron amurense Rupr., and Coptis chinensis Franch.	− 3.341	− 2.734	0.764	1.272	0.91
8	Butein	Rhus verniciflua Stokes	− 2.857	− 2.835	0.003	0.062	0.82
9	Celastrol	Celastrus aculeatus Merr.	− 4.584	− 2.720	− 0.987	− 0.090	0.63
10	Cinnamophilin	Cinnamomum philippinense (Merr.) C. E. Chang	− 4.465	− 3.051	0.195	0.215	0.76
11	Compound K	Panax ginseng C. A. Mey.	− 3.683	− 2.735	− 0.627	0.475	0.34
12	Coptisine	Coptis chinensis Franch.	− 3.325	− 2.734	0.636	1.298	− 0.08
13	Crocin	Crocus sativus L.	− 2.804	− 2.735	− 0.294	1.768	− 0.27
14	Cryptotanshinone	Salvia miltiorrhiza Bunge	− 4.571	− 2.563	0.689	0.841	0
15	Curcumin	Curcuma longa L.	− 4.926	− 2.913	− 0.184	0.033	− 0.66
16	Emodin	Rheum palmatum L.	− 3.179	− 2.764	0.045	0.348	− 0.72
17	Ferulic acid	Oldenlandia diffusa (Willd.) Roxb.	− 1.737	− 2.621	− 0.642	0.653	− 0.44
18	Gastrodin	Gastrodia elata Blume	− 1.354	− 2.985	− 0.463	0.234	− 1.19
19	Geniposide	Gardenia jasminoides J. Ellis	− 2.534	− 2.914	− 0.415	1.408	0.51
20	Genistein	Glycine max (Linn.) Merr.	− 3.533	− 2.737	− 0.709	0.232	0.71
21	Ginsenoside Rb1	Panax ginseng C. A. Mey.	− 2.839	− 2.735	− 0.440	0.570	0.28
22	Ginsenoside Rg5	Panax ginseng C. A. Mey.	− 3.520	− 2.735	− 1.033	0.513	0.44
23	Halofuginone	Dichroa febrifuga Lour.	− 3.613	− 2.960	0.593	1.134	0.91
24	Harpagoside	Harpagophytum procumbens DC.	− 3.181	− 2.751	− 0.332	1.057	− 0.96
25	Honokiol	Magnolia officinalis Rehd. et Wils.	− 3.862	− 2.795	0.350	0.377	− 0.33
26	Icariin	Epimedium brevicornu Maxim.	− 2.930	− 2.735	− 0.278	0.076	1.09
27	Isofraxidin	Acanthopanax senticosus (Rupr. & Maxim.) Harms	− 2.37	− 2.728	− 0.382	0.762	− 0.88
28	Kaempferol	Kaempferia rotunda L.	− 3.176	− 2.735	− 0.107	0.558	0.77
29	Licochalcone A	Glycyrrhiza uralensis Fisch.	− 4.161	− 2.808	0.092	0.482	− 0.16
30	Magnoflorine	Phellodendron chinense Schneid.	− 3.447	− 2.954	1.306	1.102	0.8
31	Naringin	Citrus plants	− 3.103	− 2.735	0.157	0.685	1.21
32	Paeonol	Paeonia suffruticosa Andr.	− 1.606	− 2.758	0.137	0.630	0.01
33	Piperine	Piper nigrum L.	− 3.799	− 2.824	0.266	0.240	− 0.02
34	Psoralen	Psoralea corylifolia L.	− 2.688	− 2.271	− 0.284	0.738	− 0.93
35	Puerarin	Pueraria lobata (Willd.) Ohwi	− 3.845	− 2.735	− 0.217	0.183	0.04
36	Quercetin	Cudrania tricuspidata (Carr.) Bur.	− 2.942	− 2.735	0.134	0.515	0.93
37	Resveratrol	Polygonum cuspidatum Sieb., Veratrum album var. grandiflorum Maxim, and Vitis vinifera L. etc.	− 3.285	− 3.132	0.118	0.141	− 0.94
38	Shikonin	Lithospermum erythrorhizon Sieb.	− 2.535	− 2.775	0.297	0.105	0.36
39	Sinomenine	Sinomenium acutum (Thunb.) Rehd. et Wils.	− 2.276	− 3.550	0.673	0.921	0.87
40	Tectorigenin	Belamcanda chinensis (L.) Redouté	− 3.580	− 2.737	− 0.644	0.166	0.58
41	Tetramethylpyrazine	Ligusticum chuanxiong Hort.	− 0.786	− 2.671	− 0.136	0.551	− 1.53
42	Theaflavin-3,3′-digallate	Black tea	− 2.892	− 2.735	− 0.087	0.242	0.47
43	Triptolide	Tripterygium wilfordii Hook.f.	− 3.657	− 3.202	0.465	0.484	− 0.32

Water solubility: the solubility of the molecule in water at 25 °C; less than − 10: insoluble; between − 10 and − 6: poorly soluble; between − 6 and − 4: moderately soluble; between − 4 and − 2: soluble; between − 2 and 0: very soluble; more than 0: highly soluble
Skin permeability: the human skin permeability of compounds in vitro; more than − 2.5: low skin permeability; less than − 2.5: high skin permeability
VDss (human): the volume of compounds distributed in tissue; less than − 0.15: low distribution; more than 0.45: high distribution
Total clearance: a combination of hepatic clearance and renal clearance; less than 0.25: low total clearance; more than 0.25: high total clearance
DL: drug-likeness model score; between 0 and 2: very drug-like molecules; between − 3 and − 0.5: non-drug like molecules

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