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opensourceantibiotics / murligase Public

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Mue E fragment screen

Chris Swain edited this page Mar 21, 2019 · 1 revision

To be updated

Toggle table of contents Pages 46

Navigation

Introduction

Overview

Background and Target Validation

Screening Efforts

DSI Poised Fragment Library

Initial MurD Hits

Initial MurE Hits

Pocket binding site

The Atomwise Library

XChem EcMurE Atomwise library 1

SPR with the Atomwise library

Enamine Kinase Inhibitors (MurD/MurE)

ZINC/Enamine Docking

Generative Modelling Competition

Generative Modelling Competition: SPR results

Fragment Hit to Lead Efforts

MurD Round 1

MurE Round 1

Dual Inhibitors

AZ Efflux & Multi-targeting Series

Modification of Existing Inhibitors

SPR evaluation of WYH compounds

Microbiology evaluation of WYH compounds

Enzymatic Inhibition evaluation of WYH compounds

Crystallography

Project Resources and Data

CompChem Tools

PDB and Fragalysis

Sources of Data

Assay Protocols

Project Meetings

Newsletters and Other Outreach

Project Support

Acknowledgements and Who's Involved

AMR Situation & Policy Reviews

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