Traditional Chinese medicine extraction method by ethanol delivers drug-like molecules

被引:16
作者
Miao, William G. [1 ]
Tang, Chunping [2 ]
Ye, Yang [2 ]
Quinn, Ronald J. [1 ]
Feng, Yunjiang [1 ]
机构
[1] Griffith Univ, Griffith Inst Drug Discovery GRIDD, Nathan, Qld 4111, Australia
[2] Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China
关键词
Extraction; Traditional Chinese medicine (TCM); Natural products; Lipinski's Ro5Physicochemical properties; PHENOLIC-COMPOUNDS; HERBAL MEDICINES; GASTRODIA-ELATA; CONSTITUENTS; DISCOVERY; INHIBITION; PRINCIPLES; RHIZOMES;
D O I
10.1016/S1875-5364(19)30086-X
中图分类号
R [医药、卫生];
学科分类号
10 ;
摘要
Traditional Chinese Medicine (TCM) is an important reservoir for bioactive natural products. TCM extraction methods by water decoction and wine tincture are an integral part of TCM and essential for their widely acknowledged efficacy. In this study, we selected 6 common TCMs that are rich in chemistry to investigate whether the TCM extraction methods deliver molecules with drug-like physical chemical properties. Six TCM herbal materials were extracted by water, 95% ethanol, and sequential hexane, dichloromethane and methanol. The extracts were analyzed by HPLC and H-1 NMR. Isolation on one of the extracts yielded 32 compounds, their physical chemical properties were analyzed by Instant JChem. Our results showed that ethanol extraction, which mimics TCM wine tincture, delivered compounds with physical chemical properties compliant to Lipinski's rule of 5.
引用
收藏
页码:713 / 720
页数:8
相关论文
共 50 条
  • [41] YaTCM: Yet another Traditional Chinese Medicine Database for Drug Discovery
    Li, Baiqing
    Ma, Chunfeng
    Zhao, Xiaoyong
    Hu, Zhigang
    Du, Tengfei
    Xu, Xuanming
    Wang, Zhonghua
    Lin, Jianping
    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2018, 16 : 600 - 610
  • [42] Targeting RNA with Small Molecules: Identification of Selective, RNA-Binding Small Molecules Occupying Drug-Like Chemical Space
    Rizvi, Noreen F.
    Santa Maria, John P., Jr.
    Nahvi, Ali
    Klappenbach, Joel
    Klein, Daniel J.
    Curran, Patrick J.
    Richards, Matthew P.
    Chamberlin, Chad
    Saradjian, Peter
    Burchard, Julja
    Aguilar, Rodrigo
    Lee, Jeannie T.
    Dandliker, Peter J.
    Smith, Graham F.
    Kutchukian, Peter
    Nickbarg, Elliott B.
    SLAS DISCOVERY, 2020, 25 (04) : 384 - 396
  • [43] Gex2SGen: Designing Drug-like Molecules from Desired Gene Expression Signatures
    Das, Dibyajyoti
    Chakrabarty, Broto
    Srinivasan, Rajgopal
    Roy, Arijit
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023, 63 (07) : 1882 - 1893
  • [44] Ammonia as a preferred additive in chiral and achiral applications of supercritical fluid chromatography for small, drug-like molecules
    Ventura, Manuel
    Murphy, Brent
    Goetzinger, Wolfgang
    JOURNAL OF CHROMATOGRAPHY A, 2012, 1220 : 147 - 155
  • [45] A Versatile Isocyanate-Mediated Strategy for Appending Chemical Tags onto Drug-Like Small Molecules
    Henry, Catherine C.
    Kruell, Jasmin A.
    Wilson, Robert M.
    Chang, Chia-Fu
    Woo, Christina M.
    Koehler, Angela N.
    BIOCONJUGATE CHEMISTRY, 2023, 34 (12) : 2181 - 2186
  • [46] TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine
    Zhang, Liu-Xia
    Dong, Jie
    Wei, Hui
    Shi, Shao-Hua
    Lu, Ai-Ping
    Deng, Gui-Ming
    Cao, Dong-Sheng
    JOURNAL OF CHEMINFORMATICS, 2022, 14 (01)
  • [47] Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules
    Ropp, Patrick J.
    Kaminsky, Jesse C.
    Yablonski, Sara
    Durrant, Jacob D.
    JOURNAL OF CHEMINFORMATICS, 2019, 11 (1)
  • [48] Comparison of diffusion coefficients for matched pairs of macrocyclic and linear molecules over a drug-like molecular weight range
    Bogdan, Andrew R.
    Davies, Nichola L.
    James, Keith
    ORGANIC & BIOMOLECULAR CHEMISTRY, 2011, 9 (22) : 7727 - 7733
  • [49] Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules
    Matter, Hans
    Anger, Lennart T.
    Giegerich, Clemens
    Guessregen, Stefan
    Hessler, Gerhard
    Baringhaus, Karl-Heinz
    BIOORGANIC & MEDICINAL CHEMISTRY, 2012, 20 (18) : 5352 - 5365
  • [50] A quantitative diagnostic method based on Bayesian networks in Traditional Chinese Medicine
    Wang, Huiyan
    Wang, Jie
    NEURAL INFORMATION PROCESSING, PT 3, PROCEEDINGS, 2006, 4234 : 176 - 183