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Vol. 8, Issue 9 (2019)

Molecular docking studies of aloe vera for their potential antibacterial activity using Argus lab 4.0.1

Dr. Ranjith D
Antibiotic resistance is an earnest and progressive phenomenon in coeval medicine and has emerged as one of the supreme public health concerns in current scenario. The use of alternative medicines practiced for years and remained as constituent part of many cultural and technological developments around globe. The aim of the present study was to evaluate the antibacterial activity of Aloe vera (L) via molecular docking studies using 17 phytoconstituents already reported in multifarious scientific reports i.e. acemannan, aloe emodin, aloesin, aloin A, aloin B or isobarbaloin, anthracene, anthranol or anthranol benzoate, auxin or 3 indoleacetate, campesterol, chrysophanic acid, dermatan 4 sulphate, dermatan 6 sulphate, emodin or archin, hyaluronic acid, lupeol, salicylic acid and sitosterol beta against the rate limiting enzyme involved in cell wall synthesis of bacteria i.e. glucosamine 6 phosphate synthase respectively. The docking procedure was carried out using ArgusLab 4.0.1 and post docking analysis was carried out by using PyMOL molecular viewer. Among the ligands screened sitosterol beta, campesterol and anthracene showed highest binding energy i.e. -12.419, -11.764 and -11.038 with better inhibition properties respectively. From the current insilico studies, it can be concluded that the above three drugs showed good binding energy and druggish property. Further, bioactivity guided fractionation and isolation of constituents is required for in vitro and in vivo studies.
Pages: 481-487  |  611 Views  380 Downloads

The Pharma Innovation Journal
How to cite this article:
Dr. Ranjith D. Molecular docking studies of aloe vera for their potential antibacterial activity using Argus lab 4.0.1. Pharma Innovation 2019;8(9):481-487.

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