ArticleMolecular diversity2025
Virtual screening, ADME prediction, drug-likeness, and molecular docking analysis of Fagonia indica chemical constituents against antidiabetic targets.
Article in Molecular diversity, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Development and Validation of a UPLC-MS/MS for Determination of Loureirin D in Rat Plasma and Its Application to Pharmacokinetics.Biomedical chromatography : BMC · 2026Article
- Designing the macrolide-amygdalin complexes as CDK6 inhibitors: A multi-algorithm approach to develop safe and effective drugs through molecular docking, ADMET, molecular dynamic simulation and DFT studies.Folia microbiologica · 2026Article
- Integrative transcriptomic and structural modeling reveal CASP1, TLR3, PYCARD, and CD274 as immune-modulatory drivers in breast cancer.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Gmelinol ameliorates type 2 diabetes and multi-organ complications in streptozotocin-nicotinamide-induced diabetic rats.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Differential Evolution for Docking Simulations.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Piperidines as dual inhibitors of tyrosinase and pancreatic lipase:Future medicinal chemistry · 2025Article
- A combined in silico and MD simulation approach to discover novel LpxC inhibitors targeting multiple drug resistant Pseudomonas aeruginosa.Scientific reports · 2025Article
- Identification and assessment of hub genes and miRNAs coregulatory associated with immune infiltrations and drug interactions in latent tuberculosis based on MicroarrayData analysis, molecular docking, and dynamic simulation.Biochemistry and biophysics reports · 2025Article
- Impact of triglyceride-glucose index on the long-term prognosis of advanced gastric cancer patients receiving immunotherapy combined with chemotherapy.World journal of gastroenterology · 2025Article
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Authors and funding
5 authors.
Funding
Abstract
Fagonia indica from Zygophyllaceae family is a medicinal specie with significant antidiabetic potential. The present study aimed to investigate the in vitro antidiabetic activity of Fagonia indica crude extract followed by an in silico screening of its phytoconstituents. For this purpose, crude extract of Fagonia indica was prepared and divided in three different parts, i.e., n-hexane, ethyl acetate, and methanolic fraction. Based on in vitro outcomes, the phytochemical substances of Fagonia indica were virtually screened through a literature survey and a screening library of compounds (1-13) was prepared. The clinical potential of these novel drug candidates was assessed by applying an ADME screening profile. Findings of SwissADME indicators (Absorption, Distribution, Metabolism, and Excretion) for the compounds (1-13) presented relatively optimal physicochemical characteristics, drug-likeness, and medicinal chemistry. The antidiabetic action of these leading drug candidates was optimized through molecular docking analysis against 3 different human pancreatic α-amylase macromolecular targets with (PDB ID 1B2Y), (PDB ID 3BAJ), and (PDB ID: 3OLI) by applying Virtual Docker (Molegro MVD). Metformin was taken as a reference standard for the sake of comparison. In vitro antidiabetic evaluation gave good results with promising α-amylase inhibitory action in the form of IC
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