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August 19, 2026Drug Development Research

Discovery of New Pyrazole‐Linked Pyridine Derivatives as Multi‐Target Anti‐Inflammatory Agents With Immunomodulatory Potential

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Authors

MSMohamed A. Salem RRReham R. Raslan NGNirvana A. Gohar

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Overview

In vitro and in silico study demonstrates potent COX-2 inhibition and cytokine suppression by novel pyrazole-pyridine derivatives, indicating multi-target anti-inflammatory therapeutic potential.

Key Points

To synthesize and evaluate novel pyrazole-linked pyridine derivatives as multi-target anti-inflammatory agents with selective COX-2 inhibition and immunomodulatory activity.
Synthesized pyrazole-linked pyridine derivatives (2–7) from 4-(pyridin-1-yl)benzohydrazide reacted with substituted-ketenes, activated olefinic dimers, and α,β-unsaturated carbonyl compounds.
Assessed in vitro inhibitory effects on COX-1, COX-2, IL-6, TNF-α, PGE2, and nitric oxide (NO) production in comparison to celecoxib and indomethacin.
Conducted molecular docking simulations and density functional theory (DFT) calculations to analyze binding interactions and electronic properties.
Compound 7b demonstrated the strongest COX-2 inhibition with an IC50 of 0.70 ± 0.02 µM (selectivity index = 3.95 vs. COX-1 IC50 of 2.77 ± 0.09 µM), outperforming celecoxib (IC50 = 0.87 ± 0.03 µM).
Compound 7b suppressed pro-inflammatory cytokines, yielding an IC50 of 167.65 ± 6.65 pg/mL for IL-6 and 816.59 ± 28.01 pg/mL for TNF-α, alongside reducing PGE2 to 539.49 ± 17.87 pg/mL and NO to 4.230 ± 0.159 nM.
Molecular docking and DFT calculations revealed high binding affinity and a low energy band gap for 7b, favoring stable polar interactions with target protein residues.

Cite This Study

Salem et al. (2026) studied this question.

synapsesocial.com/papers/6a85640f03308d306e2d79a9 https://doi.org/10.1002/ddr.70362

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August 19, 2026Drug Development Research

Discovery of New Pyrazole‐Linked Pyridine Derivatives as Multi‐Target Anti‐Inflammatory Agents With Immunomodulatory Potential

View Full Paper

Ask AI

Bookmark

Authors

MSMohamed A. Salem RRReham R. Raslan NGNirvana A. Gohar

Discussion

Member takes

Overview

In vitro and in silico study demonstrates potent COX-2 inhibition and cytokine suppression by novel pyrazole-pyridine derivatives, indicating multi-target anti-inflammatory therapeutic potential.

Key Points

To synthesize and evaluate novel pyrazole-linked pyridine derivatives as multi-target anti-inflammatory agents with selective COX-2 inhibition and immunomodulatory activity.
Synthesized pyrazole-linked pyridine derivatives (2–7) from 4-(pyridin-1-yl)benzohydrazide reacted with substituted-ketenes, activated olefinic dimers, and α,β-unsaturated carbonyl compounds.
Assessed in vitro inhibitory effects on COX-1, COX-2, IL-6, TNF-α, PGE2, and nitric oxide (NO) production in comparison to celecoxib and indomethacin.
Conducted molecular docking simulations and density functional theory (DFT) calculations to analyze binding interactions and electronic properties.
Compound 7b demonstrated the strongest COX-2 inhibition with an IC50 of 0.70 ± 0.02 µM (selectivity index = 3.95 vs. COX-1 IC50 of 2.77 ± 0.09 µM), outperforming celecoxib (IC50 = 0.87 ± 0.03 µM).
Compound 7b suppressed pro-inflammatory cytokines, yielding an IC50 of 167.65 ± 6.65 pg/mL for IL-6 and 816.59 ± 28.01 pg/mL for TNF-α, alongside reducing PGE2 to 539.49 ± 17.87 pg/mL and NO to 4.230 ± 0.159 nM.
Molecular docking and DFT calculations revealed high binding affinity and a low energy band gap for 7b, favoring stable polar interactions with target protein residues.

Cite This Study

Salem et al. (2026) studied this question.

synapsesocial.com/papers/6a85640f03308d306e2d79a9 https://doi.org/10.1002/ddr.70362

View Full Paper

Ask AI

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