Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (Part II): in silico prediction in antidiabetic extracts.
Laura Guasch,Esther Sala,María José Ojeda,Cristina Valls,Cinta Bladé,Miquel Mulero,Mayte Blay,Anna Ardévol,Santiago Garcia-Vallvé,Gerard Pujadas +9 more
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TLDR
This study identified 18 potential DPP-IV inhibitors in 18 different plant extracts (12 of these plants have known antidi diabetic properties, whereas, for the remaining 6, antidiabetic activity has been reported for other plant species from the same genus).Abstract:
Background
Natural extracts play an important role in traditional medicines for the treatment of diabetes mellitus and are also an essential resource for new drug discovery. Dipeptidyl peptidase IV (DPP-IV) inhibitors are potential candidates for the treatment of type 2 diabetes mellitus, and the effectiveness of certain antidiabetic extracts of natural origin could be, at least partially, explained by the inhibition of DPP-IV.read more
Citations
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The use of plants in the traditional management of diabetes in Nigeria: pharmacological and toxicological considerations.
TL;DR: A review of medicinal plants traditionally used for diabetes management in Nigeria and ways in which their therapeutic potential can be properly harnessed for possible integration into the country's healthcare system are highlighted.
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Ligand Pose and Orientational Sampling in Molecular Docking
Ryan G. Coleman,Michael Carchia,Teague Sterling,John J. Irwin,Brian K. Shoichet,Brian K. Shoichet +5 more
TL;DR: In this article, the authors explore sampling techniques that eliminate stochastic behavior in DOCK3.6, allowing a focused effort to optimize the code for efficiency, with a threefold increase in the speed of the program.
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Plant proteases for bioactive peptides release: A review
TL;DR: This review presents the latest knowledge in the use and diversity of plant proteases for bioactive peptides release from food proteins including both available commercial plant protease as well as new potential plant sources.
Journal ArticleDOI
Plasma pharmacochemistry based approach to screening potential bioactive components in Huang-Lian-Jie-Du-Tang using high performance liquid chromatography coupled with mass spectrometric detection
Yaohua Hu,Peng Jiang,Shuping Wang,Shi-Kai Yan,Li Xiang,Wei-Dong Zhang,Wei-Dong Zhang,Run-Hui Liu +7 more
TL;DR: 30 components including 22 prototype compounds and 8 metabolites from HLJDT were discovered as potential bioactive components in rat plasma by comparing the retention time, MS and MS/MS spectra with those of reference standard and literature data.
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Recent progress in natural products as DPP-4 inhibitors.
TL;DR: It is revealed that both pure natural products and the crude extracts of herbs or the hydrolyzates of proteins are active as DPP-4 inhibitors, and both could be served as useful clues for developing next generation of antidiabetes medicines via inhibiting D PP-4 activity.
References
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BindingDB: a web-accessible database of experimentally determined protein–ligand binding affinities
TL;DR: BindingDB is a publicly accessible database currently containing ∼20 000 experimentally determined binding affinities of protein–ligand complexes, for 110 protein targets including isoforms and mutational variants, and ∼11000 small molecule ligands.
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Dipeptidyl‐peptidase IV hydrolyses gastric inhibitory polypeptide, glucagon‐like peptide‐1(7–36)amide, peptide histidine methionine and is responsible for their degradation in human serum
TL;DR: It is concluded that di peptidyl-peptidase IV initiates the metabolism of GIP and GLP-1(7-36)amide in human serum and inactivates these peptide hormones.
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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
Steven L. Dixon,Alexander M. Smondyrev,Eric H. Knoll,Eric H. Knoll,Shashidhar N. Rao,David E. Shaw,David E. Shaw,Richard A. Friesner,Richard A. Friesner +8 more
TL;DR: PHASE is compared directly to other ligand-based software for its ability to identify target pharmacophores, rationalize structure-activity data, and predict activities of external compounds.
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(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
Dooseop Kim,Liping Wang,Maria G. Beconi,George J. Eiermann,Michael H. Fisher,Huaibing He,Gerard J. Hickey,Jennifer E. Kowalchick,Barbara Leiting,Kathryn A. Lyons,Frank Marsilio,Margaret E. McCann,Reshma A. Patel,Aleksandr Petrov,Giovanna Scapin,Sangita B. Patel,Ranabir Sinha Roy,Joseph K. Wu,Matthew J. Wyvratt,Bei B. Zhang,Lan Zhu,Nancy A. Thornberry,Ann E. Weber +22 more
TL;DR: A novel series of beta-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes and MK-0431, the phosphate salt of compound 1, was selected for development.
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Indian Herbs and Herbal Drugs Used for the Treatment of Diabetes
Manisha A. Modak,Priyanjali Dixit,Jayant S. Londhe,Saroj S. Ghaskadbi,Thomas P.A. Devasagayam +4 more
TL;DR: This review focuses on Indian Herbal drugs and plants used in the treatment of diabetes, especially in India, and a list of medicinal plants with proven antidiabetic and related beneficial effects and of herbal drugs used in treatment of Diabetes is compiled.