The invention belongs to the field of bio-
medicine, and in particular relates to an application of a small-molecule covalent inhibitor in preparing a
medicine for inhibiting S-adenosylmethionine decarboxylase and a
screening method of the small-molecule covalent inhibitor. The
structural formula of the small-molecule covalent inhibitor is as shown in Description, wherein R1 represents formyl and a derivative substituted group thereof, amino and a derivative substituted group thereof or thienyl, and R2 in an R2 group represents
cyclohexene and a substituted group thereof, phenyl and a substituted group thereof,
aniline or
benzamide or a substituted
phenyl group thereof,
pyrrole and a substituted group thereof, or
pyridine and a substituted group thereof; and the inhibitor further consists of pharmaceutically acceptable salt with a
chemical structure shown as general formula I. A method for screening the small-molecule covalent inhibitor of the S-adenosylmethionine decarboxylase comprises the following steps: deleting pyruvoyl 68 residue in an S-adenosylmethionine decarboxylase
crystal structure, and conducting optimizing in Rosetta
software so as to obtain an optimized
protein crystal structure; and conducting docking calculation on the optimized
protein crystal structure and a searched small-molecule structure by virtue of AutoDockVina
software, and screening calculating results so as to obtain the small-molecule covalent inhibitor.