Cargando…

Pharmacophore Elucidation and Molecular Docking Studies on 5-Phenyl-1-(3-pyridyl)-1H-1,2,4-triazole-3-carboxylic Acid Derivatives as COX-2 Inhibitors

A set of 5-phenyl-1-(3-pyridyl)-1H-1,2,4-triazole-3-carboxylic acid derivatives (16–32) showing anti-inflammatory activity was analyzed using a three-dimensional qualitative structure-selectivity relationship (3D QSSR) method. The CatalystHipHop approach was used to generate a pharmacophore model fo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Lindner, Marc, Sippl, Wolfgang, Radwan, Awwad A.
Formato:	Texto
Lenguaje:	English
Publicado:	Österreichische Apotheker-Verlagsgesellschaft 2010
Materias:	Original Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3002798/ https://www.ncbi.nlm.nih.gov/pubmed/21179343 http://dx.doi.org/10.3797/scipharm.0912-19

Ejemplares similares

Pharmacophore elucidation and molecular docking studies on phosphodiesterase-5 inhibitors
por: Radwan, Awwad Abdoh
Publicado: (2015)

3-Phenyl-1H-1,2,4-triazol-5-amine–5-phenyl-1H-1,2,4-triazol-3-amine (1/1)
por: Dolzhenko, Anton V., et al.
Publicado: (2008)

4-(3-Methylphenyl)-3-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole
por: Gong, Xiaoning, et al.
Publicado: (2009)

3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4H-1,2,4-triazole
por: Wu, Jing-Min, et al.
Publicado: (2011)

Electrocatalytic CO(2) Reduction by [Re(CO)(3)Cl(3-(pyridin-2-yl)-5-phenyl-1,2,4-triazole)] and [Re(CO)(3)Cl(3-(2-pyridyl)-1,2,4-triazole)]
por: Nguyen, Phuong N., et al.
Publicado: (2022)

Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxylate monohydrate
por: Wang, Li, et al.
Publicado: (2011)

3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole
por: Yuan, Lu-Tong, et al.
Publicado: (2009)

4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
por: Ramos Silva, Manuela, et al.
Publicado: (2008)

5-Amino-3-methyl-1-phenyl-1H-1,2,4-triazole
por: Allouch, Fatma, et al.
Publicado: (2008)

Bis[μ-3-ethyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole]bis[dichloridocopper(II)]
por: Wang, Zuoxiang, et al.
Publicado: (2008)

4-Amino-3-(4-pyridyl)-1,2,4-triazole-5(4H)-thione
por: Zou, Fang, et al.
Publicado: (2007)

Diaquabis(1H-1,2,4-triazole-3-carboxylato)cadmium(II)
por: Zhu, Jie, et al.
Publicado: (2007)

3-Methyl-4-(3-methylphenyl)-5-(2-pyridyl)-4H-1,2,4-triazole
por: Xie, Da-Jing, et al.
Publicado: (2009)

Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate
por: Zhu, Ai-Xin, et al.
Publicado: (2011)

5-Methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
por: Lin, Jin Rui, et al.
Publicado: (2008)

catena-Poly[[dibromidozinc(II)]-μ-4-(3-pyridyl)-4H-1,2,4-triazole]
por: Ding, Bin, et al.
Publicado: (2010)

5-Amino-1H-1,2,4-triazol-4-ium-3-carboxylate hemihydrate
por: Fernandes, José A., et al.
Publicado: (2011)

Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxylato)copper(II)
por: Zhu, Jie, et al.
Publicado: (2008)

Chlorido(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxylato)copper(II)
por: Zhu, Jie, et al.
Publicado: (2007)

mer-Bis[3,5-difluoro-2-(2-pyridyl)phenyl-κ(2) C (1),N]{5-(2-pyridyl-κN)-3-[3-(4-vinylbenzyloxy)phenyl]-1,2,4-triazol-1-ido}iridium(III) methanol solvate
por: Jones, Peter G., et al.
Publicado: (2009)

(1-Phenyl-1H-1,2,3-triazol-4-yl)methyl pyridine-3-carboxylate
por: Karimov, Zakirjon, et al.
Publicado: (2010)

1-[4-(Difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1H-1,2,4-triazole-3-carboxamide
por: Wang, Yu-Guang, et al.
Publicado: (2009)

4-Ethyl-3-(3-pyridyl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate
por: Zareef, Muhammad, et al.
Publicado: (2008)

Poly[dichloridobis[μ-1-(4-pyridylmethyl)-1,2,4-triazole]cadmium(II)]
por: Wang, Jian, et al.
Publicado: (2010)

N-Carbethoxy-N′-(3-phenyl-1H-1,2,4-triazol-5-yl)thiourea
por: Dolzhenko, Anton V., et al.
Publicado: (2010)

4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione
por: Zhao, Yu-Yuan, et al.
Publicado: (2008)

Dichloridobis[3-methyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole-κ(2) N (1),N (5)]copper(II) 3.33-hydrate
por: Wang, Zuoxiang, et al.
Publicado: (2008)

1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
por: Özel Güven, Özden, et al.
Publicado: (2008)

1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanol
por: Özel Güven, Özden, et al.
Publicado: (2008)

Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1H-1,2,4-triazol-4-ium-3-carboxylate
por: Berrah, Fadila, et al.
Publicado: (2012)

1H-1,2,4-Triazole-3-carboxamide
por: Xie, Qing-Ruo
Publicado: (2008)

3-Nitro-1H-1,2,4-triazole
por: Hemamalini, Madhukar, et al.
Publicado: (2010)

3-Benzylsulfanyl-5-(4-phenyl-1H-1,2,3-triazol-1-ylmethyl)-4H-1,2,4-triazol-4-amine
por: Chu, Qing-Zhu, et al.
Publicado: (2008)

Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole-κ(2) N (1),N (5)]copper(II)
por: Cao, Shouping, et al.
Publicado: (2011)

5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
por: Liu, Bing, et al.
Publicado: (2012)

Synthesis and characterization of transition metal complexes of 4-Amino-5-pyridyl-4H-1,2,4-triazole-3-thiol
por: Haddad, Raghad, et al.
Publicado: (2013)

Diaquabis(3-nitrobenzoato-κO (1))bis[1H-5-(3-pyridyl)-3-(4-pyridyl)-1H-1,2,4-triazole-κN (5)]cobalt(II) dihydrate
por: Zhang, Yun-Liang, et al.
Publicado: (2010)

Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole-κ(2) N (1),N (5)]chromium(III) chloride
por: Jin, Xiaofei, et al.
Publicado: (2011)

4-Amino-1-(2-benzoyl-1-phenylethyl)-3-phenyl-1H-1,2,4-triazol-5(4H)-thione
por: Song, Xiao-qiu, et al.
Publicado: (2011)

(S)-tert-Butyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
por: Liu, Lin, et al.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_vhnil7oaratqnkb2mmma1nqrur