ArticleScientific reports2024
GC-MS analysis, molecular docking, and pharmacokinetic studies on Dalbergia sissoo barks extracts for compounds with anti-diabetic potential.
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 11 papers.
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Who cites it
11 citing papers in PubMed.
- Molecular Docking of Natural Compounds as DPP-4 Inhibitors in Type 2 Diabetes: A Comprehensive Review.Pharmaceutics · 2026Review
- Antimicrobial and Pharmacokinetic Evaluation of Octanoic Acid Identified Through GC-MS Profiling of Lactiplantibacillus Plantarum 12 - 3 against LuxS-Mediated Quorum Sensing in Biofilms of Foodborne Pathogens Using Computational Approaches.Probiotics and antimicrobial proteins · 2026Article
- Molecular docking, DFT analysis, pharmacokinetic profiling and MD simulation of Ilex aquifolium L. flavonoids as potential α-glucosidase predicted inhibitors for diabetes.Scientific reports · 2026Article
- Machine learning-based QSAR and molecular modeling of phytocompounds inFrontiers in bioinformatics · 2026Article
- Review
- Discovering bioactive pharmaceuticals from natural products for type 2 diabetes mellitus using network pharmacology, molecular docking, and molecular dynamics.Scientific reports · 2025Article
- Potential of Amaranthus tricolor Terpenoids in Managing Obesity by Modulating the PI3K/AKT Pathway: A Network Pharmacology Approach.Cell biochemistry and biophysics · 2025Article
- GC-MS profiling and computational analysis of Balanites aegyptiaca phytoconstituents for antidiabetic activity: insights from network pharmacology and molecular docking.Naunyn-Schmiedeberg's archives of pharmacology · 2025Article
- Establishment of Callus Cultures fromMolecules (Basel, Switzerland) · 2025Article
- Comprehensive GC-MS Profiling and Multi-Modal Pharmacological Evaluations ofPharmaceuticals (Basel, Switzerland) · 2025Article
- Anti-lipidemic and anti-diabetic properties ofIn silico pharmacology · 2025Article
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2 authors.
Funding
Abstract
Diabetes is a metabolic condition defined by abnormal blood sugar levels. Targeting starch-hydrolyzing enzymes and Dipeptidyl Peptidase 4 (DPP-4) expressed on the surface of numerous cells is one of the key strategies to lower the risk of Type-2 diabetes mellitus (T2DM). Dalbergia sissoo Roxb. bark (DSB) extracts have been reported to have anti-diabetic properties. This study intended to scientifically validate use of alcoholic and hydro-alcoholic extracts of DSB for T2DM by conducting preliminary phytochemical investigations, characterising potential phytochemicals using Fourier transform infrared (FT-IR) spectroscopy and Gas chromatography-mass spectrometry (GC-MS) analysis followed by comprehensive in-silico analysis. A qualitative phytochemical evaluation indicated the presence of alkaloids, phenolics, glycosides, conjugated acids and flavonoids. Ethanolic extracts showed highest total phenolic content (TPC) (127.072 ± 14.08031 μg GAE/g dry extract) and total flavonoid content (106.911 ± 5.84516 μg QE /g dry extract). Further FT-IR spectroscopy also revealed typical band values associated with phenol, alcohol, alkene, alkane and conjugated acid functional groups. The GC-MS analysis identified 139 compounds, 18 of which had anti-diabetic potential. In-silico ADMET analysis of potential compounds revealed 15 compounds that followed Lipinski's rule and demonstrated drug-like properties, as well as good oral bioavailability. Molecular docking was utilised to analyse their potential to interact with three targets: α-amylase, α-glucosidase, and DPP-4, which are crucial in managing diabetes-related problems. Molecular Docking analysis and membrane permeability test utilising the PerMM platform revealed that compounds in the extracts, such as Soyasapogenol B and Corydine, had better interactions and permeability across the plasma membrane than standard drugs in use. Molecular dynamics simulations also showed that selected compounds remained stable upon interaction with α-amylase. Overall, using the in-silico approaches it was predicted that DSB extracts contain potential phytochemicals with diverse anti-diabetic properties. It further needs to be investigated for possible development as formulation or drug of choice for treating T2DM.
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