Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
September 8, 2022Al-Bahir Journal for Engineering and Pure SciencesOpen Access

In silico Evaluation of the Antimalarial Potential of the Phytoconstituents of the Azadirachta indica Plant

View Full Paper
Ask AI
Bookmark
Share

Authors

AEAreh E.T.OAO. AtolaniLKL Kambizi

Discussion

Loading...

Member takes

Overview

In silico study reveals high binding affinity of neem phytochemicals against Plasmodium falciparum, suggesting strong potential for plant-derived antimalarial drug development.

Key Points

  • To evaluate the antimalarial potential of bioactive phytoconstituents from the Azadirachta indica (neem) plant against Plasmodium falciparum using computational molecular docking.
  • Retrieved the crystal structure of Plasmodium falciparum triosephosphate isomerase (PfTIM, PDB ID: 1m7o) and Azadirachta indica phytochemical structures from PubChem.
  • Performed virtual screening and molecular docking to determine the binding energies of neem bioactive compounds against the PfTIM receptor.
  • Compared docking scores and affinities against standard antimalarial drugs, lumefantrine and artemisinin.
  • Gedunin, nimbinene, and salannin demonstrated competitive binding energy and receptor affinity relative to both artemisinin and lumefantrine.
  • Azadirachtin, nimbandiol, and quercetin exhibited lower binding affinities than artemisinin but showed affinity profiles comparable to lumefantrine.

Cite This Study

E.T. et al. (2022) studied this question.

synapsesocial.com/papers/6a16c74fb13aec50ea6b8077https://doi.org/10.55810/2312-5721.1004
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1In silico Evaluation of the Antimalarial Potential of the Phytoconstituents of the Azadirachta indica Plant2022
  2. 2Potential Antimalarial Compounds from Spectroscopically Identified Compounds of Aqueous Stem-bark Extract of Magnifera indica: An In silico Approach2025
  3. 3In Silico Comparison of Bioactive Compounds Characterized from Azadirachta indica with an FDA-Approved Drug against Schistosomal Agents: New Insight into Schistosomiasis Treatment2024 · 7 citations
  4. 4Evaluation of phytochemicals from Azadirachta indica for drug-like properties: A computational insight into natural product-based drug discovery2025
  5. 5In vitro and in vivo Evaluation of Polyherbal Extracts of Selected Medicinal Plants as Remedies against Malaria2026