MODELLING

Our Goals

To identify an appropriate protein-protein interaction having a DENV non-structural protein as one interacting partner & DENV protein/ Human protein as another partner and design an peptide inhibiting this interaction.
To study various epidemiological aspects of DENV and create models/plots to predict various parameters of relevance from it.

DENV has 7 Non-structural Proteins : NS1, NS2A, NS2B, NS3, NS4A, NS4B, NS5. So we reviewed the available literature to construct interactomes of each NSP. In the above picture, representative interactomes of NS1 and NS5 are shown (only those interactions having proper structural informations are mentioned).

The above plot shows monthly distribution of dengue cases in India. We can see that the number of cases showed a peak around October and November. The reason behind this might be the increase in breeding rates of mosquito around july and august which resulted in rise in number of cases in the month of july and August, then a peak in October.Ref: data.gov.in/resources/stateut-and-month-wise-dengue-cases-during-2018-and-2019-ministry-health-and-family

The above figure shows a SIR plot, where we have assumed a closed population.

The above plot shows a state-wise distribution of dengue cases in the year 2018.Ref: nvbdcp.gov.in/index4.php?lang=1&level=0&linkid=431&lid=3715

After reviewing the available literature, we decided to go with DENV NS5 - hSTAT2 as our target protein-protein interaction.

DENV NS5 (PDB ID : 4V0Q)

ZIKV NS5-hSTAT2 complex (PDB ID: 6WCZ)

MORE UPDATES WILL BE COMING SOON!

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