Extraction And Isolation Of Chemical Compound From Tabernaemontana Divaricata (L.) R.Br. Ex Roem. & Schult. Leaves With Potential Anti-Neuraminidase Activity
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Date
2015-09
Authors
Zalaludin, Ayunni Salihah
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Abstract
Influenza virus was identified as one of the most common pathogens that infect human respiratory system. The infection may cause serious illness which could lead to high morbidity and mortality rate. Neuraminidase (NA), also known as sialidase is a tetramer protein which plays important roles in the life of influenza virus. This includes facilitating the release of the virus to other neighbouring cells. Thus NA has been identified as the target to develop therapeutic strategies against the viral infection. This study is focused on the extraction, fractionation and isolation of alkaloid chemical constituent with potential anti-neuraminidase activity from Tabernaemontana divaricata, identified by virtual screening from NADI database followed by in vitro and in silico evaluations of the isolated compound along with standard drug (DANA). Isolation of compound known as voaphylline (0.059 g/kg) was obtained from one of the fourteen fractions collected via column chromatography separation. In vitro evaluations of DANA, methanol and alkaloid extracts, fractions and voaphylline compound were achieved via MUNANA assay followed by in silico evaluations of DANA, voaphylline and its enantiomer (ervayunine) via molecular docking study performed using AutoDock 4.2 software. Neuraminidase inhibition assay (MUNANA assay) of DANA showed IC50 of 27.76 ± 0.14, 4.25 ± 0.07 and 12.05 ± 0.09 μg/mL against neuraminidase from Clostridium perfringens, H1N1 and H5N1. Methanol and alkaloid extracts, fractions and the isolated compound showed significant inhibitory effect (p<0.05) compared with positive control in neuraminidase inhibition assay against all three types of neuraminidase enzymes. Molecular docking study of voaphylline performed via AutoDock 4.2 software showed that voaphylline, ervayunine and DANA had low binding energy of -7.31, -5.52 and -6.29 kcal/mol, respectively with H1N1 neuraminidase receptor (PDB code: 3TI6) with a number of predicted bonding interactions involved. In silico screening of compounds had demonstrated that prediction of plants containing chemical compound of interest for a particular disease could be achieved via computational method with validation of the predicted compound’s activity was subjected to experimental evaluation via in vitro assay.
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Pharmacy