<p>Synthesis, comparative docking, and pharmacological activity of naproxen amino acid derivatives as possible anti-inflammatory and analgesic agents</p> Article Swipe
Ahmed A. Elhenawy
,
Laila M. Al-Harbi
,
Gaber O. Moustafa
,
M. A. El‐Gazzar
,
Rehab F. Abdel‐Rahman
,
Abd elhamid Salim
·
YOU?
·
· 2019
· Open Access
·
· DOI: https://doi.org/10.2147/dddt.s196276
YOU?
·
· 2019
· Open Access
·
· DOI: https://doi.org/10.2147/dddt.s196276
Background and aim: Naproxen is a member of the Nonsteroidal anti-inflammatory drugs (NSAIDs). This work aimed to synthesize a safe NSAID agent based on a peptide derivative. Methods: The structure of compounds 5-20 was established on the basis of spectral data. Frontier molecular orbitals and chemical reactivity were discussed to clarify inter- and intramolecular interactions among tested compounds. We applied competitive molecular docking using polynomial logarithms to identify the most accurate algorithm for pharmacological activity prediction for the tested compounds. The docking protocol with the lowest RMSD was selected for analyzing binding affinity. Results: Docking results illustrated that the binding interaction increased after introduction of an acidic fragment to the parent compound. These compounds were selected for additional study against adsorption, distribution, metabolism, excretion, and toxicity (ADMET) in silico. The compounds tested had good oral bioavailability without any carcinogenesis effect; no marked health effects were observed via rodent toxicity. Compounds passed through docking and ADMET profiles for them (5-16) were examined as anti-inflammatory and analgesic agents. Compounds 8 and 16 showed higher anti-inflammatory potency than the reference drug and tested compounds. Compounds 8, 10, and 14 exhibited the highest analgesic potency compared to the other tested compounds. Conclusion: The tested compounds have shown negligible ulcerogenic effects, and may be considered safer drugs than naproxen for treating inflammatory conditions.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.2147/dddt.s196276
- https://www.dovepress.com/getfile.php?fileID=50102
- OA Status
- gold
- Cited By
- 37
- References
- 48
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2945460285
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W2945460285Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.2147/dddt.s196276Digital Object Identifier
- Title
-
<p>Synthesis, comparative docking, and pharmacological activity of naproxen amino acid derivatives as possible anti-inflammatory and analgesic agents</p>Work title
- Type
-
articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2019Year of publication
- Publication date
-
2019-05-01Full publication date if available
- Authors
-
Ahmed A. Elhenawy, Laila M. Al-Harbi, Gaber O. Moustafa, M. A. El‐Gazzar, Rehab F. Abdel‐Rahman, Abd elhamid SalimList of authors in order
- Landing page
-
https://doi.org/10.2147/dddt.s196276Publisher landing page
- PDF URL
-
https://www.dovepress.com/getfile.php?fileID=50102Direct link to full text PDF
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
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https://www.dovepress.com/getfile.php?fileID=50102Direct OA link when available
- Concepts
-
Chemistry, Docking (animal), Naproxen, Analgesic, Pharmacology, Potency, Anti-inflammatory, Stereochemistry, Biochemistry, In vitro, Medicine, Nursing, Alternative medicine, PathologyTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
37Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 3, 2024: 4, 2023: 4, 2022: 5, 2021: 16Per-year citation counts (last 5 years)
- References (count)
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48Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
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