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A multi-approach investigation of as a promising source of nutraceutical leads against diabetes and triple negative breast cancer.

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In silico pharmacology 📖 저널 OA 100% 2022: 1/1 OA 2025: 14/14 OA 2026: 16/16 OA 2022~2026 2026 Vol.14(1) p. 112
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Dewangan C, Agrawal S, Shahi SK

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Mushrooms are highly valued as sources of novel bioactive molecules with therapeutic relevance.

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APA Dewangan C, Agrawal S, Shahi SK (2026). A multi-approach investigation of as a promising source of nutraceutical leads against diabetes and triple negative breast cancer.. In silico pharmacology, 14(1), 112. https://doi.org/10.1007/s40203-026-00617-4
MLA Dewangan C, et al.. "A multi-approach investigation of as a promising source of nutraceutical leads against diabetes and triple negative breast cancer.." In silico pharmacology, vol. 14, no. 1, 2026, pp. 112.
PMID 41970808 ↗

Abstract

Mushrooms are highly valued as sources of novel bioactive molecules with therapeutic relevance. This study explored the potential of methanolic extract of (Sowerby) Imazeki using a combination of phytochemical, computational, and experimental approaches to evaluate its antidiabetic and anticancer activities. GC-MS analysis revealed a sterol-dominant profile, with ergosterol, ergosta-5,7-dien-3β-ol, α-ergostenol, and 9,11-dehydroprogesterone identified as the major metabolites. In silico study confirmed drug-likeness properties of compounds, while absorption, distribution, metabolism, excretion, and toxicity (ADMET) predictions suggested good gastrointestinal absorption, negligible mutagenicity, and low carcinogenic risk, though limited biodegradability was observed. Molecular docking revealed strong interactions of sterol derivatives (- 9.0 to - 10.2 kcal/mol) with diabetes-related (α-amylase) and cancer-associated (Aurora-A, CDK1/Cks2, PLK1) targets. In vitro validation confirmed significant α-amylase inhibitory activity, with an IC value of 0.85 ± 0.09 mg/mL.The methanolic extract exhibited notable cytotoxic activity against 4T1 breast cancer cells, showing 71.28% growth inhibition at 1500 µg/mL, with an IC value of 721 ± 6 µg/mL. Overall, contains valuable sterol-based compounds with dual therapeutic potential against diabetes and cancer, which signify this mushroom as a potential lead for natural drug development.

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