What question did this study set out to answer?

To evaluate the antimalarial potential of bioactive phytochemicals from Azadirachta indica against the Plasmodium falciparum triosephosphate isomerase target using computational docking techniques.

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

Authors

AEAreh E.T.OAO. Atolani LKL Kambizi

Discussion

Member takes

Overview

Molecular docking study demonstrates strong binding affinity of neem phytochemicals against Plasmodium falciparum targets, indicating potential plant-derived antimalarial therapies.

Key Points

To evaluate the antimalarial potential of bioactive phytochemicals from Azadirachta indica against the Plasmodium falciparum triosephosphate isomerase target using computational docking techniques.
Retrieved the crystal structure of Plasmodium falciparum triosephosphate isomerase (PDB: 1M7O) and chemical structures of Azadirachta indica phytochemicals from the PubChem database.
Performed virtual screening and molecular docking simulations to compare the binding affinities of neem phytoconstituents with standard antimalarial drugs (artemisinin and lumefantrine).
Gedunin, nimbinene, and salannin demonstrated competitive binding energy and receptor affinity comparable to standard antimalarials lumefantrine and artemisinin.
Azadirachtin, nimbandiol, and quercetin exhibited lower binding energies relative to artemisinin, though their affinities remained comparable to lumefantrine.

Cite This Study

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

synapsesocial.com/papers/6a16c74fb13aec50ea6b8078 https://doi.org/10.55810/2313-0083.1004

View Full Paper

Ask AI

Bookmark

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

Authors

AEAreh E.T.OAO. Atolani LKL Kambizi

Discussion

Member takes

Overview

Molecular docking study demonstrates strong binding affinity of neem phytochemicals against Plasmodium falciparum targets, indicating potential plant-derived antimalarial therapies.

Key Points

To evaluate the antimalarial potential of bioactive phytochemicals from Azadirachta indica against the Plasmodium falciparum triosephosphate isomerase target using computational docking techniques.
Retrieved the crystal structure of Plasmodium falciparum triosephosphate isomerase (PDB: 1M7O) and chemical structures of Azadirachta indica phytochemicals from the PubChem database.
Performed virtual screening and molecular docking simulations to compare the binding affinities of neem phytoconstituents with standard antimalarial drugs (artemisinin and lumefantrine).
Gedunin, nimbinene, and salannin demonstrated competitive binding energy and receptor affinity comparable to standard antimalarials lumefantrine and artemisinin.
Azadirachtin, nimbandiol, and quercetin exhibited lower binding energies relative to artemisinin, though their affinities remained comparable to lumefantrine.

Cite This Study

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

synapsesocial.com/papers/6a16c74fb13aec50ea6b8078 https://doi.org/10.55810/2313-0083.1004

Also Consider

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

View Full Paper

Ask AI

Bookmark