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April 1, 2025Journal of Pharmacy & Pharmacognosy ResearchOpen Access

Indonesian herbal compounds as potential inhibitors of Plasmodium falciparum CDPK2: Insights from docking, molecular dynamics, and DFT analysis

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Authors

GGGusnia Meilin GholamMDMaheswari Alfira DwicesariaIAI Made Artika

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Overview

In silico analysis reveals that herbal compounds may inhibit CDPK2 in Plasmodium falciparum, suggesting novel antimalarial strategies.

Key Points

  • Remerin shows high binding affinity to CDPK2, indicating its potential as an effective inhibitor.
  • Among tested compounds, remerin met drug-likeness criteria based on ADME evaluation, enhancing viability for further studies.
  • Molecular docking and DFT analysis confirmed the promising properties of several Indonesian herbal compounds against CDPK2.
  • Normal mode analysis indicated that the CDPK2-remerin complex maintained stability during simulation, supporting its therapeutic potential.

Cite This Study

Gholam et al. (2025) studied this question.

synapsesocial.com/papers/68af5f0dad7bf08b1eae1c55https://doi.org/10.56499/jppres25.2336_13.s1.289
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