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March 31, 2026Philippine Journal of Health Research and DevelopmentOpen Access

Virtual Screening of Natural Products and Drugs as Inhibitors against Aspartate Transcarbamoylase and Orotidine-5'-Monophosphate Decarboxylase in Plasmodium falciparum

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Authors

CRCharissma Leiah R. RagasaJBJunie B. Billones

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Overview

Virtual screening identifies new inhibitors for Plasmodium falciparum, suggesting potential drug development.

Key Points

  • The study aims to discover new chemical entities that can serve as inhibitors for Plasmodium falciparum enzymes.
  • Conducted molecular docking of 2,527 approved and 5,755 experimental drugs along with 4,687 natural compounds.
  • Targeted aspartate transcarbamoylase and orotidine-5'-monophosphate decarboxylase enzymes.
  • Evaluated binding energy and ADMET properties of the compounds.
  • 39 compounds showed larger binding energy than the reference ligands.
  • Top compounds included dihydrotrichotetronine, ginkgolide A, and ginkgolide C as promising inhibitors.
  • Compounds like myricetin and tolcapone may also be viable as anti-malarial drugs.

Cite This Study

Ragasa et al. (2019) studied this question.

synapsesocial.com/papers/69cb64d4e6a8c024954b8e8ahttps://doi.org/10.4103/pjhrd_2019234_1
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  4. 4Structure-Based Screening of Deep-Sea Microbial Metabolites Against Plasmodium falciparum Dihydroorotate Dehydrogenase2026
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