Mechanism of molecular interaction of sitagliptin with human DPP4 enzyme - New Insights

Advances in Medical Sciences - Tập 68 - Trang 402-408 - 2023
Michelangelo Bauwelz Gonzatti1, José Edvar Monteiro Júnior2, Antônio José Rocha3, Jonathas Sales de Oliveira4, Antônio José de Jesus Evangelista4, Fátima Morgana Pio Fonseca1, Vânia Marilande Ceccatto5, Ariclécio Cunha de Oliveira5, José Ednésio da Cruz Freire5
1Department of Microbiology, Immunology, and Parasitology, Federal University of São Paulo, São Paulo, SP, Brazil
2Department of Biology, Federal University of Ceará, Fortaleza, CE, Brazil
3Department of Genetics, Evolution, Immunology, and Microbiology, State University of Campinas, Campinas, SP, Brazil
4Christus University Center (UNICHRISTUS), Fortaleza, CE, Brazil
5Superior Institute of Biomedical Sciences, State University of Ceará, Fortaleza, CE, Brazil

Tài liệu tham khảo

Eslami, 2021, Dietary pattern, colonic microbiota and immunometabolism interaction: new frontiers for diabetes mellitus and related disorders, Diabet Med, 38, 10.1111/dme.14415 Mukhtar, 2020, A modern overview on diabetes mellitus: a chronic endocrine disorder, European J Biol, 5, 1, 10.47672/ejb.409 Kashyap, 2021, Uncurtaining the effect of COVID-19 in diabetes mellitus: a complex clinical management approach, Environ Sci Pollut Res Int, 28, 35429, 10.1007/s11356-021-14480-7 da Cruz Freire, 2022, Evaluation of the anti-diabetic drug sitagliptin as a novel attenuate to SARS-CoV-2 evidence-based in silico: molecular docking and molecular dynamics, 3 Biotech, 12, 344, 10.1007/s13205-022-03406-w Razavi, 2022, DPP-4 inhibitors and GLP-1RAs: cardiovascular safety and benefits, Military Med Res, 9, 45, 10.1186/s40779-022-00410-2 Du, 2020, The potential effects of DPP-4 inhibitors on cardiovascular system in COVID-19 patients, J Cell Mol Med, 24, 10274, 10.1111/jcmm.15674 Shao, 2020, Dipeptidyl peptidase 4 inhibitors and their potential immune modulatory functions, Pharmacol Ther, 209, 10.1016/j.pharmthera.2020.107503 Fisman, 2021, The dual glucose-dependent insulinotropic polypeptide (GIP) and glucagon-like peptide-1 (GLP-1) receptor agonist tirzepatide: a novel cardiometabolic therapeutic prospect, Cardiovasc Diabetol, 20, 225, 10.1186/s12933-021-01412-5 Chow, 2022, The emerging role of incretins and twincretins, Nat Rev Endocrinol, 18, 73, 10.1038/s41574-021-00607-w Smit, 2021, Investigating GIPR (ant)agonism: a structural analysis of GIP and its receptor, Structure, 29, 679, 10.1016/j.str.2021.04.001 Hölscher, 2022, Protective properties of GLP-1 and associated peptide hormones in neurodegenerative disorders, Br J Pharmacol, 179, 695, 10.1111/bph.15508 Paudel, 2021, In vitro and in silico characterization of G-protein coupled receptor (GPCR) targets of phlorofucofuroeckol-a and dieckol, Mar Drugs, 19, 326, 10.3390/md19060326 Ye, 2021, Two methods for the preparation of sitagliptin phosphate via chemical resolution and asymmetric hydrogenation, RSC Adv, 11, 4805, 10.1039/D0RA10273C Kareemulla, 2021, Safety and tolerability of vildagliptin in clinical practice: newer promising gliptin for type 2 diabetes mellitus, Int J Pharmaceut Biol Sci Archive, 9 Bae, 2022, Effects of teneligliptin on HbA1c levels, continuous glucose monitoring-derived time in range and glycemic variability in elderly patients with T2DM (TEDDY study), Diabetes Metab J, 46, 81, 10.4093/dmj.2021.0016 Mei, 2020, Applications of fluorine-containing amino acids for drug design, Eur J Med Chem, 186, 10.1016/j.ejmech.2019.111826 Sova, 2020, Efficient and straightforward syntheses of two United States pharmacopeia sitagliptin impurities: 3-desamino-2,3-dehydrositagliptin and 3-desamino-3,4-dehydrositagliptin, ACS Omega, 5, 5356, 10.1021/acsomega.9b04393 Burley, 2019, RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy, Nucleic Acids Res, 47, D464, 10.1093/nar/gky1004 Sigrist, 2013, New and continuing developments at PROSITE, Nucleic Acids Res, 41, D344, 10.1093/nar/gks1067 Lu, 2020, CDD/SPARCLE: the conserved domain database in 2020, Nucleic Acids Res, 48, D265, 10.1093/nar/gkz991 Blum, 2021, The InterPro protein families and domains database: 20 years on, Nucleic Acids Res, 49, D344, 10.1093/nar/gkaa977 Rocha, 2020, Novos insights sobre as propriedades físico-químicas do transportador de monoaminas VMAT2 humano e seu modo de interação com o neurotransmissor serotonina: Uma análise in silico, Res, Soc Dev, 9 Oliveira, 2020, Modelagem Estrutural de uma Quitinase (GH19) de Melão e Análise de Docking Molecular com N-Acetil-β(1-4)-D-Glicosamina, Revista Arquivos Científicos (IMMES), 3, 162, 10.5935/2595-4407/rac.immes.v3n1p162-171 Freire, 2021, New insights about the EptA protein and its correlation with the pmrC gene in polymyxin resistance in Pseudomonas aeruginosa, Curr Res Microb Sci, 2 Mendez, 2019, ChEMBL: towards direct deposition of bioassay data, Nucleic Acids Res, 47, D930, 10.1093/nar/gky1075 Eberhardt, 2021, AutoDock Vina 1.2.0: new docking methods, expanded force field, and python bindings, J Chem Inf Model, 61, 3891, 10.1021/acs.jcim.1c00203 Schöning-Stierand, 2020, ProteinsPlus: interactive analysis of protein-ligand binding interfaces, Nucleic Acids Res, 48, W48, 10.1093/nar/gkaa235 Adasme, 2021, PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA, Nucleic Acids Res, 49, 10.1093/nar/gkab294 Huang, 2019, Natural phenolic compounds potentiate hypoglycemia via inhibition of Dipeptidyl peptidase IV, Sci Rep, 9 Asfour, 2021, Sitagliptin combined HIV-TAT as potential therapeutic targeting of SARS-CoV-2 virus, Int J Pharmacol, 18, 70, 10.3923/ijp.2022.70.78 Alhakamy, 2021, Evaluation of the antiviral activity of sitagliptin-glatiramer acetate nano-conjugates against SARS-CoV-2 virus, Pharmaceuticals, 14, 178, 10.3390/ph14030178 Varin, 2019, Circulating levels of soluble dipeptidyl peptidase-4 are dissociated from inflammation and induced by enzymatic DPP4 inhibition, Cell Metabol, 29, 320, 10.1016/j.cmet.2018.10.001 Tian, 2010, Reversal of new-onset diabetes through modulating inflammation and stimulating β-cell replication in nonobese diabetic mice by a dipeptidyl peptidase IV inhibitor, Endocrinology, 151, 3049, 10.1210/en.2010-0068 Pinheiro, 2016, Four-year clinical remission of type 1 diabetes mellitus in two patients treated with sitagliptin and vitamin D3, Endocrinol Diabetes Metab Case Rep, 2016, 1 Istrate, 2022, Natural compounds as DPP-4 inhibitors: 3D-similarity search, ADME toxicity, and molecular docking approaches, Symmetry, 14, 1842, 10.3390/sym14091842 Khan, 2022, Evaluation of terpenoids as dipeptidyl peptidase 4 lead molecules: molecular docking and dynamics simulation study, Biointerface Res Appl Chem, 13, 376, 10.33263/BRIAC134.376 Subhani, 2020, In silico discovery of potential inhibitors against Dipeptidyl Peptidase-4: a major biological target of Type-2 diabetes mellitus, Int J Clin Microbiol Biochem Technol, 3 Shaikh, 2022, Dipeptidyl peptidase-4 inhibitory potentials of Glycyrrhiza uralensis and its bioactive compounds licochalcone A and licochalcone B: an in silico and invitro study, Front Mol Biosci, 9, 10.3389/fmolb.2022.1024764 Cian, 2022, Identification and in silico study of a novel dipeptidyl peptidase IV inhibitory peptide derived from green seaweed Ulva spp. hydrolysates, LWT, 154, 10.1016/j.lwt.2021.112738 Nisha, 2017, Molecular docking analysis of potential dipeptidyl peptidase - 4 (DPP-4) inhibitors from Siddha formulation Pungampoo chooranam for treating diabetes mellitus, Int J Adv Res Biol Sci, 4, 78, 10.22192/ijarbs.2017.04.10.011