Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets

Major Phytoconstituents of Actinidia deliciosa were explored for their anti-viral potential against dengue virus (DENV). The docking of these phytoconstituents was performed on 7 viral targets- 4 DENV non structural protein (NS5-SAM binding domain, NS5 RdRp domain, NS3 helicase & NS2B-NS3 protea...

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Autores principales: Chandani, Sneha R., Lokhande, Kiran B., Swamy, K. Venkateswara, Nanda, Rabindra K., Chitlange, Sohan S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Pharmacology, Toxicology and Pharmaceutical Science
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6626881/
https://www.ncbi.nlm.nih.gov/pubmed/31338396
http://dx.doi.org/10.1016/j.dib.2019.103996
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author Chandani, Sneha R.
Lokhande, Kiran B.
Swamy, K. Venkateswara
Nanda, Rabindra K.
Chitlange, Sohan S.
author_facet Chandani, Sneha R.
Lokhande, Kiran B.
Swamy, K. Venkateswara
Nanda, Rabindra K.
Chitlange, Sohan S.
author_sort Chandani, Sneha R.
collection PubMed
description Major Phytoconstituents of Actinidia deliciosa were explored for their anti-viral potential against dengue virus (DENV). The docking of these phytoconstituents was performed on 7 viral targets- 4 DENV non structural protein (NS5-SAM binding domain, NS5 RdRp domain, NS3 helicase & NS2B-NS3 protease) and 3 DENV structural proteins (Envelope protein-β-OD domain, stem domain & Domain III). The analysis was done on the basis of binding affinity, type of interactions (bond type and distance) and interaction with amino acids significant in viral replication. The top 5 phytoconstituents with best docking score have been reported.
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spelling pubmed-66268812019-07-23 Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets Chandani, Sneha R. Lokhande, Kiran B. Swamy, K. Venkateswara Nanda, Rabindra K. Chitlange, Sohan S. Data Brief Pharmacology, Toxicology and Pharmaceutical Science Major Phytoconstituents of Actinidia deliciosa were explored for their anti-viral potential against dengue virus (DENV). The docking of these phytoconstituents was performed on 7 viral targets- 4 DENV non structural protein (NS5-SAM binding domain, NS5 RdRp domain, NS3 helicase & NS2B-NS3 protease) and 3 DENV structural proteins (Envelope protein-β-OD domain, stem domain & Domain III). The analysis was done on the basis of binding affinity, type of interactions (bond type and distance) and interaction with amino acids significant in viral replication. The top 5 phytoconstituents with best docking score have been reported. Elsevier 2019-05-17 /pmc/articles/PMC6626881/ /pubmed/31338396 http://dx.doi.org/10.1016/j.dib.2019.103996 Text en © 2019 The Author(s) http://creativecommons.org/licenses/by/4.0/ This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Pharmacology, Toxicology and Pharmaceutical Science
Chandani, Sneha R.
Lokhande, Kiran B.
Swamy, K. Venkateswara
Nanda, Rabindra K.
Chitlange, Sohan S.
Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
title Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
title_full Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
title_fullStr Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
title_full_unstemmed Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
title_short Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
title_sort data on docking of phytoconstituents of actinidia deliciosa on dengue viral targets
topic Pharmacology, Toxicology and Pharmaceutical Science
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6626881/
https://www.ncbi.nlm.nih.gov/pubmed/31338396
http://dx.doi.org/10.1016/j.dib.2019.103996
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