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Phenolic Derivatives with Antioxidant and Anti-Inflammatory Activities: An in Silico, in vitro and in vivo Study
Muhammad Tahir Aqeel1, Nisar-ur-Rahman1*, Arif-ullah Khan2, Ashfaq Ahmad3, Zaman ashraf4, Usman Rasheed1 and Sibghat Mansoor5
1Department of Pharmacy, COMSATS University Islamabad, Abbottabad Campus, Pakistan; 2Riphah Institute of Pharmaceutical Sciences, Riphah International University, Islamabad, Pakistan; 3Virginia Commonwealth University, Richmond, USA; 4Department of chemistry, Allama Iqbal Open University, Islamabad, Pakistan; 5College of Pharmacy, The University of Punjab, Lahore, Pakistan; *Corresponding author:


Polyphenols are widely distributed in nature having broad spectrum of biological activities. Most of the biological effects produced by polyphenols are largely attributed to their anti-inflammatory and antioxidant potential. The current research work describes the anti-inflammatory and antioxidant potential of newly synthesized phenolic derivatives (T2, T5, T6, T7 & T8) through in silico, in vitro and in vivo approach. The docking studies were performed against NADPH oxidase (PDB ID 3A1F-) and cyclooxygenase (COX-2 with PDB ID 5KIR Homosapien) using in silico techniques. Amongst phenolic derivatives (T2, T5, T6, T7 &T8) T2 and T6 exhibited maximum binding affinity with target protein NADPH oxidase (-6.2 and -6.3 Kcal/mol respectively). However, in case of COX-2 as target protein, all the five newly synthesized phenolic derivatives showed encouraging results. In particular, T2 and T8 with binding affinity values -7.9 Kcal/mol and -8.0 Kcal/mol respectively which are promising than Ibuprofen with binding affinity -6.6 Kcal/mol. Then in vitro antioxidant potential of phenolic derivatives was analyzed through total reducing power, total antioxidant capacity and DPPH (1, 1-diphenyl-2picryl-hydrazyl) assay. T2 and T6 showed antioxidant potential with IC50 values of 25.03µg/ml and 37.21 µg/ml respectively as compared to 15.14 µg/ml with respect to ascorbic acid. In vivo anti-inflammatory potential was determined through carrageenan induced paw edema which resulted in T2 with promising percentage edema inhibition (68.64±3.34) as compare to standard piroxicam (83.84±3.87). Amongst all phenolic derivatives T2 has promising results in in silico, in vitro and in vivo studies.

To Cite This Article: Aqeel MT, Rahman NU, Khan AU, Ahmad A, Ashraf Z, Rasheed U and Mansoor S, 2019. Phenolic derivatives with antioxidant and anti-inflammatory activities: an in silico, in vitro and in vivo study. Pak Vet J, 39(4): 598-602.


ISSN 0253-8318 (Print)
ISSN 2074-7764 (Online)