New chemotypes for the inhibition of (p)ppgpp synthesis in the quest for new antimicrobial compounds

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SUMMARY

The authors chose as a protein model the X-ray_crystal_structure reported for RelSeq in a so-called synthetase-ON conformation, i.e., the chain A of the pdb structure 1VJ7 (residues 1-385), which carries the GDP substrate in the synthetase catalytic_site. To maximize the chemical space explored in the screening, the authors selected seven different libraries of commercially available fragments, Maybridge Rule of 3, Asinex Fragments, Life Chemicals Fragment Library with Experimental Solubility Data I and II, OTAVA Solubility fragment library, Chembridge Fragment library, and SPECS fragment library, amounting to a total of . . .

 



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