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

Design, synthesis of 2,3-disubstitued 4(3H)-quinazolinone derivatives as anti-inflammatory and analgesic agents: COX-1/2 inhibitory activities and molecular docking studies

2016 ◽  
Vol 24 (16) ◽  
pp. 3818-3828 ◽  
Author(s):  
Alaa A.-M. Abdel-Aziz ◽  
Laila A. Abou-Zeid ◽  
Kamal Eldin H. ElTahir ◽  
Menshawy A. Mohamed ◽  
Mohamed A. Abu El-Enin ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Analgesic Agents ◽  
Inhibitory Activities ◽  
Anti Inflammatory ◽  
Quinazolinone Derivatives ◽  
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 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, Molecular Docking Studies and Biological Evaluation of N-Acylarylhydrazones as Anti-Inflammatory Agents

2020 ◽  
pp. 137-148
Author(s):  
Tangirala Sarala Devi ◽  
Galla Rajitha ◽  
Konda Swathi ◽  
Katari Sudheer Kumar ◽  
Amineni Umamaheswari
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies ◽  
Anti Inflammatory

Synthesis of sulpha drug based hydroxytriazene derivatives: Anti-diabetic, antioxidant, anti-inflammatory activity and their molecular docking studies

2020 ◽  
Vol 96 ◽  
pp. 103642 ◽  
Author(s):  
Poonam Sharma ◽  
Varsha Dayma ◽  
Aparna Dwivedi ◽  
Prabhat K. Baroliya ◽  
I.P. Tripathi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Inflammatory Activity ◽  
Molecular Docking Studies ◽  
Sulpha Drug ◽  
Anti Inflammatory
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