Synthesis, Computational and Pharmacological Evaluation of N-(2-benzoyl- 4-chlorophenyl)-2-(4-(Substituted Phenyl) Piperazin-1-yl) Acetamides as CNS Agents.
BACKGROUND
A series of new N-(2-benzoyl-4-chlorophenyl)-2-(4-(substituted phenyl) piperazin-1-yl) acetamides (3a-j) have been synthesized by the chloroacetylation of 2-amino-5- chlorbenzophenone which was further reacted with substituted phenylpiperazine.


METHODS
The chemical structures of the compounds were confirmed on the basis of their TLC, IR, 1HNMR, 13CNMR and by elemental analysis. The physicochemical similarity of the target compounds with respect to standard drug diazepam was assessed by calculating from a set of physicochemical properties using software programs.


CONCLUSIONS
Molecular docking studies revealed that the target compounds correctly dock into the binding pocket of the GABAA receptor, while their bioavailability/drug-likeness was predicted to be acceptable but requires future optimization. The anxiolytic and skeletal muscle relaxant activity of the target compounds (3a-j) were evaluated in albino mice. Among them, compound 3h showed potent anxiolytic and skeletal muscle relaxant activity.
Faculty of Pharmacy, IFTM University, Moradabad-244001 (U.P.). India.
Shweta
S
Verma
Faculty of Pharmacy, Babu Banarasi Das Northern India Institute of Technology, Lucknow-226028 (U.P.). India.
Surendra
S
Kumar
Faculty of Pharmacy, IFTM University, Moradabad-244001(U.P.). India.
Sushil
S
Kumar
D000081:Acetamides / Q000138:chemical synthesis* / Q000378:metabolism / Q000494:pharmacology; D000818:Animals; D014151:Anti-Anxiety Agents / Q000138:chemical synthesis* / Q000378:metabolism / Q000494:pharmacology; D002491:Central Nervous System Agents; D003198:Computer Simulation; D004353:Drug Evaluation, Preclinical / Q000379:methods; D018782:Maze Learning / Q000187:drug effects; D051379:Mice; D062105:Molecular Docking Simulation / Q000379:methods*; D009125:Muscle Relaxants, Central / Q000138:chemical synthesis* / Q000378:metabolism / Q000494:pharmacology; D010879:Piperazines / Q000138:chemical synthesis*; D045442:Rotarod Performance Test / Q000379:methods; D013329:Structure-Activity Relationship
D000081:Acetamides; D014151:Anti-Anxiety Agents; D002491:Central Nervous System Agents; D009125:Muscle Relaxants, Central; D010879:Piperazines
Acetamide; CNS agents; anxiolytic activity; computational study; molecular modeling; phenylpiperazine