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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Detalles Bibliográficos
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
Descripción
Sumario: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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