Insilico Molecular Docking of Some Isolated Selected Compounds of Phoenix Sylvestris(L.) for Analgesic Activity

Abstract

Khejur palm (Phoenix Silvestris L. Roxb.) sometimes called the date palm is a very important and well-known source of sugar and is one of the most popular palms of Bangladesh. It is used to treat back pain, toothache, headache, arthritis, nervous debility and as a sedative. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Phoenix Silvestris, namely 2, 3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one and 2,4-Di-tert-butyl phenol COX-1 and COX-2 for searching of the lead molecule against pain. A wide range of docking score found during molecular docking by Schrodinger. 2, 3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one showed the docking score -5.393 kJ/mol against COX-1 & 2,4-Di-tert-butyl phenol showed the docking score -7.692kj/ mol against COX-2. Between all the compounds 2, 3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one showed the best docking score towards COX-1 & 2,4-Di-tert-butyl phenol showed the best docking score towards COX-2. So, 2, 3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one and 2,4-Di-tert-butyl phenol is the best compound respectively for COX-1and COX-2 enzyme inhibition, as it possessed the best value in Molecular Docking. Further, in vivo investigation needs to identify COX-1& COX-2 enzyme inhibitory activity of isolated compounds from Phoenix Silvestris.