PMID- 38132335
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20231224
IS  - 2079-7737 (Print)
IS  - 2079-7737 (Electronic)
IS  - 2079-7737 (Linking)
VI  - 12
IP  - 12
DP  - 2023 Dec 11
TI  - Waste to Medicine: Evidence from Computational Studies on the Modulatory Role of 
      Corn Silk on the Therapeutic Targets Implicated in Type 2 Diabetes Mellitus.
LID - 10.3390/biology12121509 [doi]
LID - 1509
AB  - Type 2 diabetes mellitus (T2DM) is characterized by insulin resistance and/or 
      defective insulin production in the human body. Although the antidiabetic action 
      of corn silk (CS) is well-established, the understanding of the mechanism of 
      action (MoA) behind this potential is lacking. Hence, this study aimed to 
      elucidate the MoA in different samples (raw and three extracts: aqueous, 
      hydro-ethanolic, and ethanolic) as a therapeutic agent for the management of T2DM 
      using metabolomic profiling and computational techniques. Ultra-performance 
      liquid chromatography-mass spectrometry (UP-LCMS), in silico techniques, and 
      density functional theory were used for compound identification and to predict 
      the MoA. A total of 110 out of the 128 identified secondary metabolites passed 
      the Lipinski's rule of five. The Kyoto Encyclopaedia of Genes and Genomes pathway 
      enrichment analysis revealed the cAMP pathway as the hub signaling pathway, in 
      which ADORA1, HCAR2, and GABBR1 were identified as the key target genes 
      implicated in the pathway. Since gallicynoic acid (-48.74 kcal/mol), dodecanedioc 
      acid (-34.53 kcal/mol), and tetradecanedioc acid (-36.80 kcal/mol) interacted 
      well with ADORA1, HCAR2, and GABBR1, respectively, and are thermodynamically 
      stable in their formed compatible complexes, according to the post-molecular 
      dynamics simulation results, they are suggested as potential drug candidates for 
      T2DM therapy via the maintenance of normal glucose homeostasis and pancreatic 
      beta-cell function.
FAU - Akoonjee, Ayesha
AU  - Akoonjee A
AD  - Department of Biotechnology and Food Science, Faculty of Applied Sciences, Durban 
      University of Technology, Durban 4000, South Africa.
FAU - Lanrewaju, Adedayo Ayodeji
AU  - Lanrewaju AA
AD  - Department of Biotechnology and Food Science, Faculty of Applied Sciences, Durban 
      University of Technology, Durban 4000, South Africa.
FAU - Balogun, Fatai Oladunni
AU  - Balogun FO
AD  - Department of Biotechnology and Food Science, Faculty of Applied Sciences, Durban 
      University of Technology, Durban 4000, South Africa.
FAU - Makunga, Nokwanda Pearl
AU  - Makunga NP
AUID- ORCID: 0000-0003-1507-251X
AD  - Department of Botany and Zoology, Stellenbosch University, Private Bag X1, 
      Matieland, Stellenbosch 7602, South Africa.
FAU - Sabiu, Saheed
AU  - Sabiu S
AUID- ORCID: 0000-0001-7209-9220
AD  - Department of Biotechnology and Food Science, Faculty of Applied Sciences, Durban 
      University of Technology, Durban 4000, South Africa.
LA  - eng
GR  - 120433/National Research Foundation/
GR  - SRUG2204193723/National Research Foundation/
PT  - Journal Article
DEP - 20231211
PL  - Switzerland
TA  - Biology (Basel)
JT  - Biology
JID - 101587988
PMC - PMC10740667
OTO - NOTNLM
OT  - ADORA1
OT  - African traditional medicine
OT  - GABBR1
OT  - HCAR2
OT  - cAMP signaling pathway
OT  - chromatography
OT  - corn silk
OT  - in silico techniques
OT  - systems biology
OT  - type 2 diabetes mellitus
COIS- The authors declared no known competing financial interest or personal 
      relationship that could have appeared to influence the work reported in this 
      paper.
EDAT- 2023/12/22 12:43
MHDA- 2023/12/22 12:44
PMCR- 2023/12/11
CRDT- 2023/12/22 09:05
PHST- 2023/11/05 00:00 [received]
PHST- 2023/12/02 00:00 [revised]
PHST- 2023/12/05 00:00 [accepted]
PHST- 2023/12/22 12:44 [medline]
PHST- 2023/12/22 12:43 [pubmed]
PHST- 2023/12/22 09:05 [entrez]
PHST- 2023/12/11 00:00 [pmc-release]
AID - biology12121509 [pii]
AID - biology-12-01509 [pii]
AID - 10.3390/biology12121509 [doi]
PST - epublish
SO  - Biology (Basel). 2023 Dec 11;12(12):1509. doi: 10.3390/biology12121509.