Article Details

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

Abstract

Ajoy Roy¹, Milonuzzaman MD², Faisal Bin Kader¹, Ameerul Islam¹, Khurshed Alam¹, Jahid Hasan¹, Salman Faisal³, Asaduzzaman MDS¹, Mahbubur Rahman⁴, and Mohuya Majumder⁵*

¹ Department of Pharmacy, International Islamic University Chittagong, Bangladesh
² Department of Pharmacy, Jagannath University, Bangladesh
³ Department of Pharmacy, Manarat International University, Bangladesh
? Department of

Corresponding Author:

Mohuya Majumder, Department of Pharmacy, East West University, Bangladesh, T

Keywords: Phoenix sylvestris (L.); Analgesic; Molecular docking; COX-; COX-2

Abstract

Khejur palm (Phoenix sylvestris 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 sylvestris, 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 -7.692 kj/ 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 need to identify COX-1& COX-2 enzyme inhibitory activity of isolated compounds from Phoenix sylvestris.

Citation

Roy A, Milonuzzaman MD, Kader FB, Islam A, Alam K, et al. (2019) Insilico Molecular Docking of Some Isolated Selected Compounds of Phoenix sylvestris (L.) for Analgesic Activity. JSMC Bioinform, Genom ics, Proteomics 1: 5.

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Received: January 04, 2019

Accepted: February 05, 2019

Published: February 07, 2019