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

Sneha R Chandani; Kiran B Lokhande; K Venkateswara Swamy; Rabindra K Nanda; Sohan S Chitlange

doi:10.1016/j.dib.2019.103996

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

Data Brief. 2019 May 17:25:103996. doi: 10.1016/j.dib.2019.103996. eCollection 2019 Aug.

Authors

Sneha R Chandani¹, Kiran B Lokhande², K Venkateswara Swamy², Rabindra K Nanda¹, Sohan S Chitlange¹

Affiliations

¹ Dr. D. Y. Patil Unitech Society's, Dr. D. Y. Patil Institute of Pharmaceutical Sciences & Research, Pimpri, Pune 411018, India.
² Bioinformatics Research Laboratory, Dr. D. Y. Patil Biotechnology and Bioinformatics Institute, Dr. D. Y. Patil Vidyapeeth, Pune 411033, India.

Abstract

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.

Keywords: Actinidia; Apigenin; Dengue; Docking; Luteolin; Targets.