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Molecular docking of potential Indian medicinal plant compounds against dengue viral proteins

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Title Statement Molecular docking of potential Indian medicinal plant compounds against dengue viral proteins
 
Added Entry - Uncontrolled Name Gnaneswari, Divya ; Gargi College, University of Delhi
Divya, Divya ; Department of Zoology, Gargi College, University of Delhi, Siri Fort Road, New Delhi 110 049, India
Verma, Anjali ; Department of Zoology, Gargi College, University of Delhi, Siri Fort Road, New Delhi 110 049, India
Shraddha, Shraddha ; Department of Zoology, Gargi College, University of Delhi, Siri Fort Road, New Delhi 110 049, India
Sharma, Smriti ; Department of Zoology, Gargi College, University of Delhi, Siri Fort Road, New Delhi 110 049, India
Mayandi, Divya Gnaneswari; Department of Zoology, Gargi College, University of Delhi, Siri Fort Road, New Delhi 110 049, India
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Uncontrolled Index Term Andrographis paniculata, Azadirachta indica, Carica papaya, Dengue, Docking, Tinospora cordifolia
 
Summary, etc. <p>Dengue fever is one of the major health issue caused by Dengue virus. The present work focuses on virtual screening of compounds from the selected medicinal plants, <em>Azadirachta indica</em>, <em>Andrographis paniculata</em>, <em>Tinospora cordifolia</em> and <em>Carica papaya </em>for their anti-viral activity against dengue virus. The envelop protein and methyl transferase enzyme of dengue virus has been selected for the study. Computer aided docking of plant compounds with selected viral proteins known for its pathogenicity in humans were performed using AutoDock software after checking their drug likeness property based on Lipinski’s rule of five. Most of the selected compounds docked well with the viral protein in terms of their binding energy and ligand efficiency with effective drug likeness property as compared to the reference synthetic drug.  Nimbocinol and Meliacinanhydride of <em>Azadirachta indica</em> were found to be the top most compounds against selected dengue viral protein displaying highest binding affinity. Andrographolide of <em>A. paniculata</em> and Tinosporide and Berberine of <em>T. cordifolia</em> also showed promising results against viral proteins. Since these naturally derived compounds have several advantages over synthetic drugs, these compounds can be used as an anti-viral drug for the treatment of dengue fever after checking their efficacy and safety by <em>in-vitro</em> and <em>in-vivo</em> experiments.</p>
 
Publication, Distribution, Etc. Indian Journal of Traditional Knowledge (IJTK)
2022-07-26 07:24:30
 
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http://op.niscair.res.in/index.php/IJTK/article/view/32900
 
Data Source Entry Indian Journal of Traditional Knowledge (IJTK); ##issue.vol## 21, ##issue.no## 3 (2022): Indian Journal of Traditional Knowledge
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJTK/article/download/32900/465501963
http://op.niscair.res.in/index.php/IJTK/article/download/32900/465501964
http://op.niscair.res.in/index.php/IJTK/article/download/32900/465501965