title: Molecular mechanisms of novel peptides from silkworm pupae that inhibit α-glucosidase.
abstract: The objectives of this study were to identify peptides that inhibit α-glucosidase using a quantitative structure-activity relationship (QSAR) screening method and a database of silkworm peptides. This study compared the docking characteristics of several peptides with high inhibitory activity against α-glucosidase and summarized the molecular mechanisms by which the silkworm peptides affected α-glucosidase. Four peptides that strongly inhibited α-glucosidase were obtained: Gln-Pro-Gly-Arg with IC50 at 65.8 μmol/L, Ser-Gln-Ser-Pro-Ala at 20 μmol/L, Gln-Pro-Pro-Thr at 560 μmol/L and Asn-Ser-Pro-Arg at 205 μmol/L. Studies docking the peptides to the active site of α-glucosidase (PDB ID: 2QMJ) showed that a common characteristic was Lys776 in 2QMJ, which could be a critical target for α-glucosidase trapping of inhibitory peptides. The results revealed that the four peptides, especially Ser-Gln-Ser-Pro-Ala, could be potential drugs for treating diabetes.
authors.affiliation: Institute of Quality and Standard for Agriculture Products, Zhejiang Academy of Agricultural Science, Hangzhou, PR China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310021, PR China.
authors.forename: Nan
authors.initials: N
authors.lastname: Wang
authors.affiliation: Institute of Quality and Standard for Agriculture Products, Zhejiang Academy of Agricultural Science, Hangzhou, PR China; The Base State Key Laboratory of the Ministry of Agriculture Agricultural Products Quality and Safety, Hangzhou 310021, PR China. Electronic address: wangwei5228345@126.com.
authors.forename: Wei
authors.initials: W
authors.lastname: Wang
authors.affiliation: Institute of Quality and Standard for Agriculture Products, Zhejiang Academy of Agricultural Science, Hangzhou, PR China.
authors.forename: Junhong
authors.initials: J
authors.lastname: Wang
authors.affiliation: Institute of Quality and Standard for Agriculture Products, Zhejiang Academy of Agricultural Science, Hangzhou, PR China.
authors.forename: Zuoyi
authors.initials: Z
authors.lastname: Zhu
authors.affiliation: Institute of Quality and Standard for Agriculture Products, Zhejiang Academy of Agricultural Science, Hangzhou, PR China.
authors.forename: Xue
authors.initials: X
authors.lastname: Li
mesh_terms: D000818:Animals; D012831:Bombyx / Q000737:chemistry; D020134:Catalytic Domain; D065089:Glycoside Hydrolase Inhibitors / Q000737:chemistry*; D006801:Humans; D019476:Insect Proteins / Q000737:chemistry*; D062105:Molecular Docking Simulation; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D000520:alpha-Glucosidases / Q000737:chemistry*
chemical_list: D065089:Glycoside Hydrolase Inhibitors; D019476:Insect Proteins; D000520:alpha-Glucosidases
keywords: -glucosidase; In-silico screening; Molecular mechanism; Silkworm pupae; α