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Rebecka Isaksson edited this page Nov 13, 2023 · 22 revisions

Welcome to the CNP18-DENVRdrp-VirtualScreen wiki!

This repository outlines one of several projects related to our efforts to identify a small molecular compound that binds to the Dengue virus RNA-dependent RNA polymerase (Rdrp). This specific This repository describes our efforts at identifying a possible hit molecule from the Life Chemicals diversity library.

To explore this wiki, please use the sidebar on the right.

Repositories that are part of our DENV Rdrp campaign:

DENVRdrp ChEMBL data mining
DENVRdrp LifeChem diversity set
DENVRdrp Enamine covalent set
DENVRdrp Green site exploration - virtual screening

The Story So Far

General information

Rules of Participation

Origins of this Project

Researchers involved

Other repositories

Chemistry

Virtual screen

Inital hits

First expansion

Structure-Activity Relationship

Second expansion

Third expansion

Fourth expansion

Synthetic work for SAR

What do we know about RA-3301?

Biology

Testing on mutagenic strains

Tools and assays

DENV Rdrp

Sources of Data

Sources of Data

FAQS

Frequently Asked Questions

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