Waste to Medicine: Evidence from Computational Studies on the Modulatory Role of Corn Silk on the Therapeutic Targets Implicated in Type 2 Diabetes Mellitus

Autor: Ayesha Akoonjee, Adedayo Ayodeji Lanrewaju, Fatai Oladunni Balogun, Nokwanda Pearl Makunga, Saheed Sabiu
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Biology, Vol 12, Iss 12, p 1509 (2023)
Druh dokumentu: article
ISSN: 12121509
2079-7737
DOI: 10.3390/biology12121509
Popis: 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 β-cell function.
Databáze: Directory of Open Access Journals
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