Comparative anti-oxidant and anti-inflammatory study of diverse honey types of Kashmir valley through In Vitro, analytical chemistry and computational approach

Abstract

Diverse factors including geographical and floral origin have marked impact on honey parameters. These factors in the long run influence the different activities exerted by honey. Herein, we performed the novel comparative study of five different honey types of Kashmir valley differing in floral origin apart from latitude, longitude and altitude. Following the rigorous comparison of their antioxidant and anti-inflammatory activity through In vitro study, the most promising honey was screened for various molecules using high-resolution liquid chromatography mass spectrometry (HR-LCMS) approach. Moreover, the identified molecules were docked against the inflammation implicated molecular targets namely histone deacetylase (HDAC)-3 and cyclooxygenase-2 (COX-2). Eventually, the binding free energy assessment was performed using conventional and thermal molecular mechanics with generalized Born surface area (MM-GBSA). The maximum binding affinity demonstrating molecule was evaluated for stability and compatibility with COX-2 by making the use of extended molecular dynamics simulation method. This study proved Robinia pseudoacacia honey has the maximum potential for alleviating the free radicals and inflammation. Further, the luteolin and genistein confirmed through HR-LCMS evinced the highest propensity of binding towards COX-2 and HDAC3 respectively.