scholarly journals Molecular Docking Studies, Synthesis, Toxicological Evaluation using Brine Shrimp (Artemia salina L.) Model and Anti-inflammatory Activity of Some N-(substituted)-5-phenyl-1,3,4-thiadiazol-2-amine Derivatives

Author(s):  
Mayuri V. Bhosale ◽  
Akshay R. Yadav ◽  
Chandrakant S. Magdum ◽  
Shrinivas K. Mohite

A series of new N-(substituted)-5-phenyl-1,3,4-thiadiazol-2-amine derivatives were synthesized under microwave irradiation and evaluated for their anti-inflammatory activity and in-silico (molecular docking studies) to recognize the hypothetical binding motif of the title compounds using VLifeMDS software. The binding mode of the title compounds has been proposed based on the docking studies. They have interesting pharmacophore that display a broad spectrum of biological activity. The 1,3,4-thiadiazole scaffold is an interesting building block that has been used to synthesize a variety of useful bioactive compounds. The present studies widen the scope of the brine shrimp model that may prove quite helpful as a preliminary screen to determine toxic properties. In Brine shrimp lethality bioassay, compounds produced dose dependent cytotoxicity effect to brine shrimp nauplii. Inflammation is a complex process, which is frequently associated with pain and involves occurrences such as the increase of vascular permeability, increase of protein denaturation, and membrane alteration. The pharmacological evaluation of 1,3,4-thiadiazole derivatives revealed that, among all the compounds screened compound code 3c were found to have promising anti-inflammatory activity.

2016 ◽  
Vol 11 (3) ◽  
pp. 703 ◽  
Author(s):  
Nasiara Karim ◽  
Rahat Ullah ◽  
Imran Khan ◽  
Muslim Raza ◽  
Abdur Rauf ◽  
...  

2020 ◽  
Vol 17 ◽  
Author(s):  
Ramamurthy Katikireddy ◽  
Ramu Kakkerla ◽  
M.P.S. Murali Krishna ◽  
Gandamalla Durgaiah ◽  
Narasimha Reddy Yellu

: 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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