scholarly journals NOVEL FUSED 1H- IMIDAZO[1,2-B] PYRAZOLE ANALOGUES AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS WITH THEIR MOLECULAR DOCKING STUDIES AGAINST COX-1 AND COX-2

2017 ◽  
Vol 8 (2) ◽  
pp. 25-33
Author(s):  
Shridhar A H ◽  
Banuprakash G ◽  
Joy H Hoskeri ◽  
Vijaykumar Y T
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Analgesic Agents ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Cox 1

scholarly journals Synthesis, In Vivo Anti-Inflammatory Activity, and Molecular Docking Studies of New Isatin Derivatives

2016 ◽  
Vol 2016 ◽  
pp. 1-9 ◽  
Author(s):  
Ravi Jarapula ◽  
Kiran Gangarapu ◽  
Sarangapani Manda ◽  
Sriram Rekulapally
Keyword(s):  
Molecular Docking ◽  
Active Site ◽  
Docking Studies ◽  
Inflammatory Activity ◽  
Paw Edema ◽  
Molecular Docking Studies ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Cox 1

A novel synthesis of 2-hydroxy-N′-(2-oxoindolin-3-ylidene) benzohydrazide derivatives was synthesized by the condensation of 2-hydroxybenzohydrazide with substituted isatins. The synthesized compounds were characterized by FT-IR, 1H-NMR, and mass spectral data. Further, the compounds were screened for in vivo anti-inflammatory activity by carrageenan induced paw edema method. The tested compounds have shown mild-to-moderate anti-inflammatory activity. The compounds VIIc and VIId exhibited 65% and 63% of paw edema reduction, respectively. The molecular docking studies were also carried out into the active site of COX-1 and COX-2 enzymes (PDB ID: 3N8Y, 3LN1, resp.) using VLife MDS 4.3. The compounds VIIc, VIId, and VIIf exhibited good docking scores of −57.27, −62.02, and −58.18 onto the active site of COX-2 and least dock scores of −8.03, −9.17, and −8.94 on COX-1 enzymes and were comparable with standard COX-2 inhibitor celecoxib. A significant correlation was observed between the in silico and the in vivo studies. The anti-inflammatory and docking results highlight the fact that the synthesized compounds VIIc, VIId, and VIIf could be considered as possible hit as therapeutic agents.

Synthesis, anti-inflammatory, analgesic, COX-1/2 inhibitory activities and molecular docking studies of substituted 2-mercapto-4(3H)-quinazolinones

2016 ◽  
Vol 121 ◽  
pp. 410-421 ◽  
Author(s):  
Alaa A.-M. Abdel-Aziz ◽  
Laila A. Abou-Zeid ◽  
Kamal Eldin H. ElTahir ◽  
Rezk R. Ayyad ◽  
Magda A.-A. El-Sayed ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Inhibitory Activities ◽  
Anti Inflammatory ◽  
Cox 1

Synthesis, anti-inflammatory, analgesic and COX-1/2 inhibition activities of anilides based on 5,5-diphenylimidazolidine-2,4-dione scaffold: Molecular docking studies

2016 ◽  
Vol 115 ◽  
pp. 121-131 ◽  
Author(s):  
Alaa A.-M. Abdel-Aziz ◽  
Adel S. El-Azab ◽  
Laila A. Abou-Zeid ◽  
Kamal Eldin H. ElTahir ◽  
Naglaa I. Abdel-Aziz ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Anti Inflammatory ◽  
Cox 1

scholarly journals Anti-Inflammatory, Analgesic Evaluation and Molecular Docking Studies of N-Phenyl Anthranilic Acid-Based 1,3,4-Oxadiazole Analogues

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Suman Bala ◽  
Sunil Kamboj ◽  
Vipin Saini ◽  
D. N. Prasad
Keyword(s):  
Molecular Docking ◽  
Analgesic Activity ◽  
Anthranilic Acid ◽  
Docking Studies ◽  
Immersion Method ◽  
Molecular Docking Studies ◽  
Rat Paw Edema ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Rat Paw

A novel series of N-phenyl anthranilic acid-based 1,3,4-oxadiazoles were prepared (4a–h) and subjected to anti-inflammatory, analgesic activity and molecular docking studies to target cyclooxygenase-2 enzyme. 1,3,4-Oxadiazole derivatives were screened for anti-inflammatory activity in carrageenan-induced rat paw edema and analgesic activity by tail immersion method. In synthesized compounds, the free carboxylic group, which is responsible for gastric side effects, was derivatized by heterocyclic 1,3,4-oxadiazole bioactive core, which showed good interaction with COX-2 receptor with good docking score. Among all the synthesized compounds,4eand4fhave emerged out as potential COX-2 inhibitors.

Isolates of Alpinia officinarum Hance as COX-2 inhibitors: Evidence from anti-inflammatory, antioxidant and molecular docking studies

2016 ◽  
Vol 33 ◽  
pp. 8-17 ◽  
Author(s):  
Varsha S. Honmore ◽  
Amit D. Kandhare ◽  
Parag P. Kadam ◽  
Vijay M. Khedkar ◽  
Dhiman Sarkar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Alpinia Officinarum ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Cox 2 Inhibitors

Design, Synthesis, Antioxidant, Anti-inflammatory Activity and Molecular Docking Studies of Novel 3,4,5-Trisubstituted-1,2,4-Triazole Derivatives Bearing Benzimidazole Moiety

2020 ◽  
Vol 17 ◽  
Author(s):  
Ramamurthy Katikireddy ◽  
Ramu Kakkerla ◽  
M.P.S. Murali Krishna ◽  
Gandamalla Durgaiah ◽  
Narasimha Reddy Yellu
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Biological Data ◽  
Inflammatory Activity ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Cox 2 ◽  
Anti Inflammatory

: 5-(7-Methyl-2-propyl-1H-benzo[d]imidazol-5-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols(6a-i) have been synthesized from key intermediate 7-methyl-2-propyl-1H-benzo[d]imidazole-5-carbohydrazide(3). The hydrazide was treated with different aryl isothiocyanatesto give corresponding thiosemicarbazone derivatives, which underwent cyclization in 4N sodium hydroxide to affordcorresponding title compound. All the compounds evaluated for their in vitro antioxidant and in vivo anti-inflammatory activity. From the results, compounds 6b and 6e have shown potential antioxidant and anti-inflammatory activity. The biological data was further supported by molecular docking studies, which revealed the binding pattern and the affinity of the molecules in the active site of COX-2.

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