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20-11-2023 | Celecoxib | Original Article

Synthesis, molecular docking, analgesic, anti-inflammatory, and ulcerogenic evaluation of thiophene-pyrazole candidates as COX, 5-LOX, and TNF-α inhibitors

Authors: M. J. Nagesh Khadri, Ramith Ramu, N. Akshaya Simha, Shaukath Ara Khanum

Published in: Inflammopharmacology | Issue 1/2024

Abstract

The thiophene bearing pyrazole derivatives (7a-j) were synthesized and examined for their in vitro cyclooxygenase, 5-lipoxygenase, and tumour inducing factor-α inhibitory activities followed by the in vivo analgesic, anti-inflammatory, and ulcerogenic evaluations. The synthesized series (7a-j) were characterized using ¹H NMR, ¹³C NMR, FT-IR, and mass spectral analysis. Initially, the compounds (7a-j) were evaluated for their in vitro cyclooxygenase, 5-lipoxygenase, and tumour inducing factor-α inhibitory activities and the compound (7f) with two phenyl substituents in the pyrazole ring and chloro substituent in the thiophene ring and the compound (7g) with two phenyl substituents in the pyrazole ring and bromo substituent in the thiophene ring were observed as potent compounds among the series. The compounds (7f and 7g) with effective in vitro potentials were further analyzed for analgesic, anti-inflammatory, and ulcerogenic evaluations. Also, to ascertain the binding affinities of compounds (7a-j), docking assessments were carried out and the ligand (7f) with the highest binding affinity was docked to know the interactions of the ligand with amino acids of target proteins.

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Title: Synthesis, molecular docking, analgesic, anti-inflammatory, and ulcerogenic evaluation of thiophene-pyrazole candidates as COX, 5-LOX, and TNF-α inhibitors
Authors: M. J. Nagesh Khadri
Ramith Ramu
N. Akshaya Simha
Shaukath Ara Khanum
Publication date: 20-11-2023
Publisher: Springer International Publishing
Keywords: Celecoxib
Indomethacin
Published in: Inflammopharmacology / Issue 1/2024
Print ISSN: 0925-4692
Electronic ISSN: 1568-5608
DOI: https://doi.org/10.1007/s10787-023-01364-0

Keynote webinar | Spotlight on medication adherence

Springer Medicine

Synthesis, molecular docking, analgesic, anti-inflammatory, and ulcerogenic evaluation of thiophene-pyrazole candidates as COX, 5-LOX, and TNF-α inhibitors

Abstract

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Keynote webinar | Spotlight on medication adherence

Springer Medicine

Abstract

Graphical abstract

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