Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
     
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Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
New publication: Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
 
OTAVAchemicals manuscript, dedicated to the development of novel class of inhibitors for protein kinase ASK1 has been published in Bioorganic and Medicinal Chemistry.
 
Abstract: The novel class of ASK1 inhibitors – among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one has been found using molecular modeling techniques. It was revealed that the most active compound 1-(6-fluoro-benzothiazol-2-yl)-3-hydroxy-5-[3-(3-methyl-butoxy)-phenyl]-4-(2-methyl-2,3-dihydro-benzofuran-5-carbonyl)-1,5-dihydro-pyrrol-2-one (BPyO-34) inhibits ASK1 with IC50 value of 520 nM in vitro in kinase assay. The structure-activity relationships for 34 derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one have been established and binding mode of this chemical class with ATP-binding site of ASK1 has been predicted. 
 
Reference: Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one. Starosyla S.A., Volynets G.P., Lukashov S.S., Gorbatiuk O.B., Golub A.G., Bdzhola V.G., Yarmoluk S.M. Bioorg. Med. Chem. 2015. – Vol. 23. – P. 2489-2497.
 

 

 
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