PMID- 37623830
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20230829
IS  - 2218-1989 (Print)
IS  - 2218-1989 (Electronic)
IS  - 2218-1989 (Linking)
VI  - 13
IP  - 8
DP  - 2023 Jul 26
TI  - Integrated Analysis of Metabolomics Combined with Network Pharmacology and 
      Molecular Docking Reveals the Effects of Processing on Metabolites of Dendrobium 
      officinale.
LID - 10.3390/metabo13080886 [doi]
LID - 886
AB  - Dendrobium officinale (D. officinale) is a precious medicinal species of 
      Dendrobium Orchidaceae, and the product obtained by hot processing is called 
      "Fengdou". At present, the research on the processing quality of D. officinale 
      mainly focuses on the chemical composition indicators such as polysaccharides and 
      flavonoids content. However, the changes in metabolites during D. officinale 
      processing are still unclear. In this study, the process was divided into two 
      stages and three important conditions including fresh stems, semiproducts and 
      "Fengdou" products. To investigate the effect of processing on metabolites of D. 
      officinale in different processing stages, an approach of combining metabolomics 
      with network pharmacology and molecular docking was employed. Through UPLC-MS/MS 
      analysis, a total of 628 metabolites were detected, and 109 of them were 
      identified as differential metabolites (VIP >/= 1, |log2 (FC)| >/= 1). Next, the 
      differential metabolites were analyzed using the network pharmacology method, 
      resulting in the selection of 29 differential metabolites as they have a 
      potential pharmacological activity. Combining seven diseases, 14 key metabolites 
      and nine important targets were screened by constructing a 
      metabolite-target-disease network. The results showed that seven metabolites with 
      potential anticoagulant, hypoglycemic and tumor-inhibiting activities increased 
      in relative abundance in the "Fengdou" product. Molecular docking results 
      indicated that seven metabolites may act on five important targets. In general, 
      processing can increase the content of some active metabolites of D. officinale 
      and improve its medicinal quality to a certain extent.
FAU - Xu, Lilan
AU  - Xu L
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
FAU - Zuo, Si-Min
AU  - Zuo SM
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
FAU - Liu, Mei
AU  - Liu M
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
FAU - Wang, Tao
AU  - Wang T
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
FAU - Li, Zizheng
AU  - Li Z
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
FAU - Yun, Yong-Huan
AU  - Yun YH
AUID- ORCID: 0000-0003-1777-3205
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
FAU - Zhang, Weimin
AU  - Zhang W
AD  - Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State 
      Market Regulation, School of Food Science and Engineering, Hainan University, 
      Haikou 570228, China.
LA  - eng
GR  - No. 22164008/National Natural Science Foundation of China/
GR  - No. 21705162/National Natural Science Foundation of China/
GR  - No. ZX-2023001/Key Laboratory of Tropical Fruits and Vegetables Quality and 
      Safety for State Market Regulation/
GR  - Innovation Platform for Academicians of Hainan Province/
PT  - Journal Article
DEP - 20230726
PL  - Switzerland
TA  - Metabolites
JT  - Metabolites
JID - 101578790
PMC - PMC10456568
OTO - NOTNLM
OT  - Dendrobium officinale
OT  - metabolites
OT  - molecular docking
OT  - network pharmacology
OT  - processing
COIS- The authors declare no conflict of interest.
EDAT- 2023/08/25 12:41
MHDA- 2023/08/25 12:42
PMCR- 2023/07/26
CRDT- 2023/08/25 09:33
PHST- 2023/06/19 00:00 [received]
PHST- 2023/07/16 00:00 [revised]
PHST- 2023/07/24 00:00 [accepted]
PHST- 2023/08/25 12:42 [medline]
PHST- 2023/08/25 12:41 [pubmed]
PHST- 2023/08/25 09:33 [entrez]
PHST- 2023/07/26 00:00 [pmc-release]
AID - metabo13080886 [pii]
AID - metabolites-13-00886 [pii]
AID - 10.3390/metabo13080886 [doi]
PST - epublish
SO  - Metabolites. 2023 Jul 26;13(8):886. doi: 10.3390/metabo13080886.