Elhenawy, A.A. and AL-Harbi, L.M. and El-Gazzar, M.A. and Khowdiary, M.M. and ouidate, A. and Alosaimi, A.M. and elhamid Salim, A. (2019) Naproxenylamino acid derivatives: Design, synthesis, docking, QSAR and anti-inflammatory and analgesic activity. Biomedicine and Pharmacotherapy, 116.

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Official URL: https://www.scopus.com/inward/record.uri?eid=2-s2....

Abstract

This work aimed to design and synthesize a safe nonsteroidal anti-inflammatory drug NSAIDs agent based on Naproxen scaffold. The structure of compounds 6-21 established on the basis of different spectral data. Anti-inflammatory and analgesic profile were examined for synthesizing compounds. The compounds 6 and 17 have shown a higher anti-inflammatory potency than Naproxen. The compounds 16, 19 and 21 have exhibited the highest analgesic potency compared to other tested compounds. The synthesized compounds have shown negligible ulcerogenic effect and may be considered as safer drugs than naproxen for treating inflammatory conditions. The molecular docking against COX-2 was performed, it verified that compound 6, 17 show stronger interactions with COX-2. This may result in a better inhibitory effect on COX-2. The best generated QSAR model shows correlation between BCUTSMR₃ and vsurfWp6 with biological activity. ADMET in silico showed that these compounds are a good oral bioavailability without observed carcinogenesis affect. © 2019 The Authors

Item Type: Article
Uncontrolled Keywords: 1 (1 hydrazinyl 1 oxopropan 2 yl) 3 1 (6 methoxynaphthalen 2 yl)urea; 1 (1 hydrazinyl 3 hydroxy 1 oxopropan 2 yl) 3 1 (6 methoxynaphthalen 2 yl)ethyl]urea; 1 (3 hydrazinyl 3 oxopropyl) 3 1 (6 methoxynaphthalen 2 yl)ethylurea; 1 1 hydrazinyl 3 (4 hydroxyphenyl) 1 oxopropan 2 yl 3 1 (6 methoxynaphthalen 2 yl)ethylurea; 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoic acid; 3 (4 hydroxyphenyl) 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoic acid; 3 hydroxy 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoic acid; 3 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoic acid; amino acid derivative; analgesic agent; antiinflammatory agent; methyl 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoate; methyl 3 (4 hydroxyphenyl) 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoate; methyl 3 hydroxy 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoate; methyl 3 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanoate; n (1,3 dioxoisoindolin 2 yl) 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanamide; n (1,3 dioxoisoindolin 2 yl) 3 (4 hydroxyphenyl) 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanamide; n (1,3 dioxoisoindolin 2 yl) 3 hydroxy 2 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanamide; n (1,3 dioxoisoindolin 2 yl) 3 3 1 (6 methoxynaphthalen 2 yl)ethyl]ureido]propanamide; naproxen; naproxen derivative; prostaglandin synthase; unclassified drug; analgesic agent; ligand; naproxen; nonsteroid antiinflammatory agent, analgesic activity; animal experiment; animal model; antiinflammatory activity; Article; blood brain barrier; carrageenan-induced paw edema; controlled study; drug absorption; drug clearance; drug design; drug distribution; drug excretion; drug metabolism; drug potency; drug synthesis; hydrogen bond; lipophilicity; maximum possible effect; molecular docking; molecular weight; nonhuman; physical chemistry; priority journal; proton nuclear magnetic resonance; quantitative structure activity relation; rat; renal clearance; surface property; animal; chemistry; synthesis, Analgesics; Animals; Anti-Inflammatory Agents, Non-Steroidal; Drug Design; Ligands; Molecular Docking Simulation; Naproxen; Quantitative Structure-Activity Relationship; Rats
Subjects: Pharmacology, Toxicology and Pharmaceutics
Divisions: SCIENTIFIC PRODUCTION > Pharmacology, Toxicology and Pharmaceutics
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:49
URI: http://eprints.umi.ac.ma/id/eprint/4390

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