ArticleFrontiers in chemistry2024
Phytochemical profiling and
Article in Frontiers in chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
3 citing papers in PubMed.
- Integrated Phytochemical, Computational and In Vitro Evaluation of the Oocysticidal Activity of Pleurotus ostreatus Extract Against Cryptosporidium parvum.Cell biochemistry and biophysics · 2026Article
- Article
- Therapeutic potential ofFrontiers in chemistry · 2024Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Background: Aim: This study aims to investigate the phytochemical composition, drug-likeness, and molecular dynamics of Method: The extract of Results: Molecular docking identified apigenin as the most potent NMT inhibitor, with a binding energy of -9.6 kcal/mol, forming significant hydrogen bonds with threonine residues 203 and 189. Drug-likeness analysis revealed that most compounds adhered to Lipinski's rule of five, indicating favorable pharmacokinetic properties. MD simulations confirmed the stability of the NMT-apigenin complex, with root mean square deviation (RMSD) values of 0.04 nm, root mean square fluctuation (RMSF) values between 0.05 and 0.35 nm, and radius of gyration (Rg) values ranging from 2.24 to 2.30 nm. Normal mode analysis further supported the complex's stability and flexibility. Conclusion: The findings of this study underscore the potential of Artemisia absinthium compounds, particularly apigenin, as promising candidates for the development of new anti-leishmaniasis drugs. The potent inhibition of Leishmania NMT by apigenin, along with its favorable pharmacokinetic and stability profiles, supports its further exploration in antileishmanial drug development.
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Registered trials
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