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Computational Screening for the Dipeptidyl Peptidase-IV Inhibitory Peptides from Putative Hemp Seed Hydrolyzed Peptidome as a Potential Antidiabetic Agent.

التفاصيل البيبلوغرافية
العنوان: Computational Screening for the Dipeptidyl Peptidase-IV Inhibitory Peptides from Putative Hemp Seed Hydrolyzed Peptidome as a Potential Antidiabetic Agent.
المؤلفون: Thongtak A; Mahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Pathom 73170, Thailand., Yutisayanuwat K; Mahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Pathom 73170, Thailand., Harnkit N; Medicinal Plant Research Institute, Department of Medical Sciences, Ministry of Public Health, Nonthaburi 11000, Thailand., Noikaew T; Department of Biology and Health Science, Mahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Pathom 73170, Thailand., Chumnanpuen P; Department of Zoology, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.; Omics Center for Agriculture, Bioresources, Food and Health, Kasetsart University (OmiKU), Bangkok 10900, Thailand.
المصدر: International journal of molecular sciences [Int J Mol Sci] 2024 May 24; Vol. 25 (11). Date of Electronic Publication: 2024 May 24.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI, [2000-
مواضيع طبية MeSH: Cannabis*/chemistry , Dipeptidyl Peptidase 4*/metabolism , Dipeptidyl Peptidase 4*/chemistry , Dipeptidyl-Peptidase IV Inhibitors*/chemistry , Dipeptidyl-Peptidase IV Inhibitors*/pharmacology , Hypoglycemic Agents*/pharmacology , Hypoglycemic Agents*/chemistry , Peptides*/chemistry , Seeds*/chemistry, Humans ; Computational Biology/methods ; Hydrolysis ; Molecular Docking Simulation ; Plant Proteins/chemistry ; Seed Storage Proteins/chemistry
مستخلص: Dipeptidyl peptidase-IV (DPPIV) inhibitory peptides are a class of antihyperglycemic drugs used in the treatment of type 2 diabetes mellitus, a metabolic disorder resulting from reduced levels of the incretin hormone GLP-1. Given that DPPIV degrades incretin, a key regulator of blood sugar levels, various antidiabetic medications that inhibit DPPIV, such as vildagliptin, sitagliptin, and linagliptin, are employed. However, the potential side effects of these drugs remain a matter of debate. Therefore, we aimed to investigate food-derived peptides from Cannabis sativa (hemp) seeds. Our developed bioinformatics pipeline was used to identify the putative hydrolyzed peptidome of three highly abundant proteins: albumin, edestin, and vicilin. These proteins were subjected to in silico digestion by different proteases (trypsin, chymotrypsin, and pepsin) and then screened for DPPIV inhibitory peptides using IDPPIV-SCM. To assess potential adverse effects, several prediction tools, namely, TOXINpred, AllerCatPro, and HemoPred, were employed to evaluate toxicity, allergenicity, and hemolytic effects, respectively. COPID was used to determine the amino acid composition. Molecular docking was performed using GalaxyPepDock and HPEPDOCK, 3D visualizations were conducted using the UCSF Chimera program, and MD simulations were carried out with AMBER20 MD software. Based on the predictive outcomes, FNVDTE from edestin and EAQPST from vicilin emerged as promising candidates for DPPIV inhibitors. We anticipate that our findings may pave the way for the development of alternative DPPIV inhibitors.
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فهرسة مساهمة: Keywords: Cannabis sativa; bioinformatic; diabetes; dipeptidyl peptidase-IV
المشرفين على المادة: EC 3.4.14.5 (Dipeptidyl Peptidase 4)
0 (Dipeptidyl-Peptidase IV Inhibitors)
0 (Hypoglycemic Agents)
0 (Peptides)
0 (Plant Proteins)
0 (Seed Storage Proteins)
9067-60-1 (vicilin protein, plant)
تواريخ الأحداث: Date Created: 20240619 Date Completed: 20240619 Latest Revision: 20240717
رمز التحديث: 20240717
مُعرف محوري في PubMed: PMC11171819
DOI: 10.3390/ijms25115730
PMID: 38891918
قاعدة البيانات: MEDLINE
الوصف
تدمد:1422-0067
DOI:10.3390/ijms25115730