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Original Articles Open Access
Inflammation is part of the complex biological response of vascular tissues to harmful stimuli, such as pathogens, damaged cells, or irritants. Cyclooxygenase-2 (COX-2) and inducible Nitric Oxide Synthase (iNOS) plays an important role in inflammation and thus they act as a promising molecular target for the treatment of many inflammatory diseases. Present study was aimed to find out COX-2 and iNOS inhibiting compounds from Bauhinia variegataLinn. 3D structures of compounds reported from GCMS analysis of active fractions of B.variegata were built using Chemsketch software. All the compounds analyzed exhibited antiviral, antibacterial, antineoplastic, antidiabetic and anti-inflammatory properties. Docking studies were performed using Glide (Grid-based Ligand Docking with Energetics) Extra Precision (XP) 5.7 algorithm in Schrodinger Software Suite, 2011 analysis. Drug likeliness (ADME) property using Lipinski RO5 was also predicted. Among the 33 ligands of the active fractions, four ligands were found to have least glide score.Thus, the phytochemicals from the active fractions of B.variegata leaf was found to have appreciable anti-inflammatory activity.
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Author(s): Gayathri Gunalan KVijayalakshmi A Saraswathy Waheetha Hopper and T Tamilvannan
COX, NOS, docking, inflammation, Bauhinia variegata, ligands, phytochemicals