DFT, Molecular Docking and ADMET Analysis of Bioactive Natural Compound Flavone-5,7,4′-Trihydroxy-8-C-β-Glucopyranoside: A Potential Multifunctional Drug Candidate

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Key Points

Flavone-5,7,4′-trihydroxy-8-C-β-glucopyranoside demonstrates significant potential as a multifunctional drug candidate based on molecular docking results.
The analysis shows favorable interactions against key biological targets, indicating strong therapeutic properties with ADMET characteristics examined.
Computational techniques like DFT and molecular docking assess the compound's effectiveness and safety for medicinal applications.
Further studies may establish this compound's viability as a therapeutic option in clinical settings, underscoring its relevance in drug development.

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Observational analysis evaluates bioactive compound's potential as a multifunctional drug candidate, suggesting promising therapeutic uses.

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Sharma et al. (2026) studied this question.

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