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Ab-initio modeling and Docking evaluation of geographically derived coat proteins of chilli leaf curl virus with flavonoids and chemical compounds

Gnanaprakash Jeyaraj, Habeeb Shaik Mohideen, Swapna Geetanjali.


Chilli leaf curl virus (ChiLCV) belongs to begomoviruses (Family Geminiviridae) can infect chilli and many other crops. The coat protein of ChiLCV binds with the genomic viral ssDNA and shuttles it in and out of the cell nucleus. The distinct role of coat protein genes is viral capsid formation and transmission by whitefly. In this study, the interaction of coat protein with selected plant flavonoids and chemical compounds is explained. The coat proteins of ChiLCV were selected from India, Pakistan, Oman, and Sri Lanka. This study focuses on understanding the structure of coat proteins from different regions and molecular docking studies to inhibit ssDNA binding for transportation of coat protein AV1 of ChiLCV. Molecular docking is carried between proteins and selected flavonoids and chemical compounds. Flavonoids show potent inhibition at the binding site of AV1. The outcomes obtained from this study direct that flavonoids' performance promises as compare with other chemical compounds. This information might be interesting to study plant defense mechanisms based on the plants' unique compounds. ¬¬

Key words: Coat protein AV1, flavonoids, Molecular Docking, Plant virus, Chilli leaf curl virus.

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