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November 1, 2025International Journal of Molecular SciencesOpen Access

Integrated In Vitro and In Silico Evaluation of the Antimicrobial and Cytotoxic Potential of Calotropis procera Leaf Ethanolic Extract: From GC-MS Profiling to Molecular Docking and Dynamics

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Authors

JMJuan David Rodríguez MacíasOSOscar Saurith-CoronellLPLaura Melissa Sinisterra Parra

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Overview

Integrative analysis reveals significant antimicrobial properties against Escherichia coli and Staphylococcus aureus, suggesting Calotropis procera as a potential source for effective therapeutic lead

Key Points

  • The ethanolic extract of Calotropis procera shows significant antimicrobial activity, inhibiting Staphylococcus aureus by 93% and Escherichia coli by 52%.
  • Molecular docking studies indicated that cardenolides bind the glycosyltransferase MurG with high affinity, suggesting a potent mechanism of action.
  • Combined in vitro and in silico techniques demonstrate the extract's favorable safety profile, showing less than 10% hemolysis at therapeutic concentrations.
  • Findings highlight the potential of Calotropis procera as an antibiotic adjuvant, warranting further in vivo studies to explore its efficacy and reduce toxicity risks.

Cite This Study

Macías et al. (2025) studied this question.

synapsesocial.com/papers/69054ffa1a99e50463de696chttps://doi.org/10.3390/ijms262110574
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