ArticleScientific reports2024
Investigating the potential of 6-substituted 3-formyl chromone derivatives as anti-diabetic agents using in silico methods.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Toxicological investigation of mycotoxin contaminants and antibiotic residues associated with the poultry industry and their impact on human health.RSC advances · 2026Article
- Synthesis and biological evaluation of 6-hydroxychromone based thiosemicarbazones as potential antidiabetic and antioxidant agents.Scientific reports · 2026Article
- Design, biological evaluation, solvatochromic, DFT, and molecular docking studies of new metal complexes derived from a semicarbazone ligand.Scientific reports · 2025Article
- Exploring the Therapeutic Potential ofMolecules (Basel, Switzerland) · 2024Article
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Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In exploring nature's potential in addressing diabetes-related conditions, this study investigates the therapeutic capabilities of 3-formyl chromone derivatives. Utilizing in silico methodologies, we focus on 6-substituted 3-formyl chromone derivatives (1-16) to assess their therapeutic potential in treating diabetes. The research examined the formyl group at the chromone's C-3 position. ADMET, biological activities, were conducted along with B3LYP calculations using 3 different basis sets. The analogues were analyzed based on their parent structure obtained from PubChem. The HOMO-LUMO gap confirmed the bioactive nature of the derivatives, NBO analysis was performed to understand the charge transfer. PASS prediction revealed that 3-formyl chromone derivatives are potent aldehyde oxidase inhibitors, insulin inhibitors, HIF1A expression inhibitors, and histidine kinase. Molecular docking studies indicated that the compounds had a strong binding affinity with proteins, including CAD, BHK, IDE, HIF-α, p53, COX, and Mpro of SARS-CoV2. 6-isopropyl-3-formyl chromone (4) displayed the highest affinity for IDE, with a binding energy of - 8.5 kcal mol
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