PMID- 33382706
OWN - NLM
STAT- MEDLINE
DCOM- 20210118
LR  - 20231110
IS  - 1932-6203 (Electronic)
IS  - 1932-6203 (Linking)
VI  - 15
IP  - 12
DP  - 2020
TI  - Network pharmacology of bioactives from Sorghum bicolor with targets related to 
      diabetes mellitus.
PG  - e0240873
LID - 10.1371/journal.pone.0240873 [doi]
LID - e0240873
AB  - BACKGROUND: Sorghum bicolor (SB) is rich in protective phytoconstituents with 
      health benefits and regarded as a promising source of natural anti-diabetic 
      substance. However, its comprehensive bioactive compound(s) and mechanism(s) 
      against type-2 diabetes mellitus (T2DM) have not been exposed. Hence, we 
      implemented network pharmacology to identify its key compounds and mechanism(s) 
      against T2DM. METHODS: Compounds in SB were explored through GC-MS and screened 
      by Lipinski's rule. Genes associated with the selected compounds or T2DM were 
      extracted from public databases, and the overlapping genes between SB-compound 
      related genes and T2DM target genes were identified using Venn diagram. Then, the 
      networking between selected compounds and overlapping genes was constructed, 
      visualized, and analyzed by RStudio. Finally, affinity between compounds and 
      genes was evaluated via molecular docking. RESULTS: GC-MS analysis of SB detected 
      a total of 20 compounds which were accepted by the Lipinski's rule. A total 
      number of 16 compounds-related genes and T2DM-related genes (4,763) were 
      identified, and 81 overlapping genes between them were selected. Gene set 
      enrichment analysis exhibited that the mechanisms of SB against T2DM were 
      associated with 12 signaling pathways, and the key mechanism might be to control 
      blood glucose level by activating PPAR signaling pathway. Furthermore, the 
      highest affinities were noted between four main compounds and six genes 
      (FABP3-Propyleneglyco monoleate, FABP4-25-Oxo-27-norcholesterol, 
      NR1H3-Campesterol, PPARA-beta-sitosterol, PPARD-beta-sitosterol, and 
      PPARG-beta-sitosterol). CONCLUSION: Our study overall suggests that the four key 
      compounds detected in SB might ameliorate T2DM severity by activating the PPAR 
      signaling pathway.
FAU - Oh, Ki Kwang
AU  - Oh KK
AD  - Department of Bio-Health Convergence, College of Biomedical Science, Kangwon 
      National University, Chuncheon, Republic of Korea.
FAU - Adnan, Md
AU  - Adnan M
AUID- ORCID: 0000-0002-1330-2169
AD  - Department of Bio-Health Convergence, College of Biomedical Science, Kangwon 
      National University, Chuncheon, Republic of Korea.
FAU - Cho, Dong Ha
AU  - Cho DH
AUID- ORCID: 0000-0003-3597-3235
AD  - Department of Bio-Health Convergence, College of Biomedical Science, Kangwon 
      National University, Chuncheon, Republic of Korea.
LA  - eng
PT  - Journal Article
DEP - 20201231
PL  - United States
TA  - PLoS One
JT  - PloS one
JID - 101285081
RN  - 0 (FABP3 protein, human)
RN  - 0 (FABP4 protein, human)
RN  - 0 (Fatty Acid Binding Protein 3)
RN  - 0 (Fatty Acid-Binding Proteins)
RN  - 0 (Hypoglycemic Agents)
RN  - 0 (Liver X Receptors)
RN  - 0 (NR1H3 protein, human)
RN  - 0 (PPAR alpha)
RN  - 0 (PPAR delta)
RN  - 0 (PPAR gamma)
RN  - 0 (PPARA protein, human)
RN  - 0 (PPARG protein, human)
RN  - 0 (Phytochemicals)
RN  - 0 (Plant Extracts)
RN  - 0 (Sterols)
SB  - IM
MH  - Binding Sites
MH  - Diabetes Mellitus, Type 2/drug therapy/genetics/metabolism
MH  - Fatty Acid Binding Protein 3/antagonists & inhibitors/genetics/metabolism
MH  - Fatty Acid-Binding Proteins/antagonists & inhibitors/genetics/metabolism
MH  - Gene Expression Regulation/*drug effects
MH  - Gene Regulatory Networks/*drug effects
MH  - Hypoglycemic Agents/*chemistry/isolation & purification/pharmacology
MH  - Liver X Receptors/antagonists & inhibitors/genetics/metabolism
MH  - Molecular Docking Simulation
MH  - PPAR alpha/antagonists & inhibitors/genetics/metabolism
MH  - PPAR delta/antagonists & inhibitors/genetics/metabolism
MH  - PPAR gamma/antagonists & inhibitors/genetics/metabolism
MH  - Phytochemicals/*chemistry/isolation & purification/pharmacology
MH  - Plant Extracts/chemistry
MH  - Protein Binding
MH  - Protein Conformation, alpha-Helical
MH  - Protein Conformation, beta-Strand
MH  - Protein Interaction Domains and Motifs
MH  - Signal Transduction
MH  - Sorghum/*chemistry
MH  - Sterols/*chemistry/isolation & purification/pharmacology
MH  - Structure-Activity Relationship
PMC - PMC7774932
COIS- The authors have declared that no competing interests exist.
EDAT- 2021/01/01 06:00
MHDA- 2021/01/20 06:00
PMCR- 2020/12/31
CRDT- 2020/12/31 17:09
PHST- 2020/10/01 00:00 [received]
PHST- 2020/12/09 00:00 [accepted]
PHST- 2020/12/31 17:09 [entrez]
PHST- 2021/01/01 06:00 [pubmed]
PHST- 2021/01/20 06:00 [medline]
PHST- 2020/12/31 00:00 [pmc-release]
AID - PONE-D-20-30630 [pii]
AID - 10.1371/journal.pone.0240873 [doi]
PST - epublish
SO  - PLoS One. 2020 Dec 31;15(12):e0240873. doi: 10.1371/journal.pone.0240873. 
      eCollection 2020.