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TitleA novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses.
Journal, issue, pagesPLoS Biol, Vol. 17, Issue 6, Page e3000281, Year 2019
Publish dateJun 11, 2019
AuthorsRana Abdelnabi / James A Geraets / Yipeng Ma / Carmen Mirabelli / Justin W Flatt / Aušra Domanska / Leen Delang / Dirk Jochmans / Timiri Ajay Kumar / Venkatesan Jayaprakash / Barij Nayan Sinha / Pieter Leyssen / Sarah J Butcher / Johan Neyts /
PubMed AbstractRhino- and enteroviruses are important human pathogens, against which no antivirals are available. The best-studied inhibitors are "capsid binders" that fit in a hydrophobic pocket of the viral ...Rhino- and enteroviruses are important human pathogens, against which no antivirals are available. The best-studied inhibitors are "capsid binders" that fit in a hydrophobic pocket of the viral capsid. Employing a new class of entero-/rhinovirus inhibitors and by means of cryo-electron microscopy (EM), followed by resistance selection and reverse genetics, we discovered a hitherto unknown druggable pocket that is formed by viral proteins VP1 and VP3 and that is conserved across entero-/rhinovirus species. We propose that these inhibitors stabilize a key region of the virion, thereby preventing the conformational expansion needed for viral RNA release. A medicinal chemistry effort resulted in the identification of analogues targeting this pocket with broad-spectrum activity against Coxsackieviruses B (CVBs) and compounds with activity against enteroviruses (EV) of groups C and D, and even rhinoviruses (RV). Our findings provide novel insights in the biology of the entry of entero-/rhinoviruses and open new avenues for the design of broad-spectrum antivirals against these pathogens.
External linksPLoS Biol / PubMed:31185007 / PubMed Central
MethodsEM (single particle)
Resolution4.0 Å
Structure data

0103

6gzv

EMDB-0103, PDB-6gzv:
Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses
Method: EM (single particle) / Resolution: 4.0 Å

Chemicals

ChemComp-FHK:
4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid

Source
  • coxsackievirus b3 (strain nancy)
KeywordsVIRUS / Inhibitor / complex

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