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September 5, 2025Open Access

In-silico study of the bioactive compounds of Blighia sapida koenig revealed a novel Plasmodium falciparum Dihydroorotate dehydrogenase inhibitor for malaria

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Authors

JAJoseph Damilola AkinyemiTOTope T. OdunitanFOFiyinfoluwa Demilade Ojeniyi

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Overview

In-silico analysis highlights antimalarial activity of bioactive compounds from B. sapida, suggesting potential for drug development.

Key Points

  • Molecular docking studies revealed seven compounds with strong binding affinities to PfDHODH, suggesting effective antimalarial candidates.
  • Phytol was identified as the most stable inhibitor with RMSD of 0.176, demonstrating promising drug-like characteristics.
  • GC-MS analysis identified 21 compounds in B. sapida extract, which displayed potential interactions with the target protein PfDHODH.
  • These findings indicate that bioactive compounds in B. sapida could lead to new treatments for drug-resistant malaria.

Cite This Study

Akinyemi et al. (2025) studied this question.

synapsesocial.com/papers/68bb5f3e6d6d5674bcd033a8https://doi.org/10.21203/rs.3.rs-7330436/v1
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