Surrogating and redirection of pyrazolo[1,5- a ]pyrimidin-7(4 H )-one core, a novel class of potent and selective DPP-4 inhibitors

Deng, Xinxian; Shen, Jian; Zhu, Hui; Jia, Xiaohong; Sun, Rong; Xie, Fangzhou; Lam, Celine; Wang, Juntao; Qiao, Yixue; Hu, Yang; Du, Yi; Li, Jianqi; Fu, Lei; Jiang, Faqin

doi:10.1016/j.bmc.2018.01.006

Cited by 16 publications

(5 citation statements)

References 26 publications

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“…Deng et al . 89 employed Gold (Cambridge Crystallographic Data Center), which is a genetic algorithm (GA)-based scheme to explore the conformational flexibility of ligand and the rotational flexibility of receptor, to dock synthesized pyrazolo inhibitors into the quinazolinone-DDP4 co-complex structure (PDB code: 2ONC). 90 It should be noted that both Glide and Gold are flexible docking algorithms.…”

Section: Methods For Screening Novel Dpp-4 Inhibitorsmentioning

confidence: 99%

“…Deng et al 88 for instance, docked a series of synthesized triazole-based uracil derivatives into the linagliptin-DDP4 co-complex structure (PDB code: 2RGU) using the standard precision (SP) Glide (Schrödinger, Inc.), which places internally generated ligand conformations with various positions and orientations into the binding pocket. Deng et al 89 employed Gold (Cambridge Crystallographic Data Center), which is a genetic algorithm (GA)-based scheme to explore the conformational flexibility of ligand and the rotational flexibility of receptor, to dock synthesized pyrazolo inhibitors into the quinazolinone-DDP4 co-complex structure (PDB code: 2ONC). 90 It should be noted that both…”

Section: Methods For Screening Novel Dpp-4 Inhibitorsmentioning

confidence: 99%

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The perceptions of natural compounds against dipeptidyl peptidase 4 in diabetes: fromin silicotoin vivo

Lin

Tsai

Cheng

et al. 2019

Therapeutic Advances in Chronic Disease

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Dipeptidyl peptidase IV (DPP-4), an incretin glucagon-like peptide-1 (GLP-1) degrading enzyme, contains two forms and it can exert various physiological functions particular in controlling blood glucose through the action of GLP-1. In diabetic use, the DPP-4 inhibitor can block the DDP-4 to attenuate GLP-1 degradation and prolong GLP-1 its action and sensitize insulin activity for the purpose of lowering blood glucose. Nonetheless the adverse effects of DPP-4 inhibitors severely hinder their clinical applications, and notably there is a clinical demand for novel DPP-4 inhibitors from various sources including chemical synthesis, herbs, and plants with fewer side effects. In this review, we highlight various strategies, namely computational biology ( in silico), in vitro enzymatic and cell assays, and in vivo animal tests, for seeking natural DPP-4 inhibitors from botanic sources including herbs and plants. The pros and cons of all approaches for new inhibitor candidates or hits will be under discussion.

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Section: Methods For Screening Novel Dpp-4 Inhibitorsmentioning

confidence: 99%

Section: Methods For Screening Novel Dpp-4 Inhibitorsmentioning

confidence: 99%

The perceptions of natural compounds against dipeptidyl peptidase 4 in diabetes: fromin silicotoin vivo

Lin

Tsai

Cheng

et al. 2019

Therapeutic Advances in Chronic Disease

View full text Add to dashboard Cite

show abstract

“…S2 site binds with the aromatic heterocycle or fused rings present in the inhibitor ( Metzler et al, 2008 ). The hydrophobic nature of the sub-pockets dictate that these are occupied by an aromatic group, and linker is necessary between the S1 and sub-S1 binding ligands ( Deng et al, 2018 ). A common feature amongst most DPP-4 inhibitors approved by regulatory authorities is the presence of a cyanopyrrolidine moiety.…”

Section: The Key Interactions Between the Ligand And Dpp-4 Complexmentioning

confidence: 99%

DPP-4 inhibitors for treating T2DM - hype or hope? an analysis based on the current literature

Saini

Sharma

Khan

2023

Front. Mol. Biosci.

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DPP-4 inhibition is an interesting line of therapy for treating Type 2 Diabetes Mellitus (T2DM) and is based on promoting the incretin effect. Here, the authors have presented a brief appraisal of DPP-4 inhibitors, their modes of action, and the clinical efficiency of currently available drugs based on DPP-4 inhibitors. The safety profiles as well as future directions including their potential application in improving COVID-19 patient outcomes have also been discussed in detail. This review also highlights the existing queries and evidence gaps in DPP-4 inhibitor research. Authors have concluded that the excitement surrounding DPP-4 inhibitors is justified because in addition to controlling blood glucose level, they are good at managing risk factors associated with diabetes.

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“…The blood glucose levels in (mg dl À1 ) were measured at 1, 2, 3, and 6 hours intervals. 59,60 Table 3 summarizes the changes in blood glucose levels in the tested diabetic animals following a single dose administration of the investigated compounds. The obtained ndings were in line with DPP-4 inhibition activities.…”

Section: Evaluation Of Acute Hypoglycemic Activitymentioning

confidence: 99%

New quinoxaline compounds as DPP-4 inhibitors and hypoglycemics: design, synthesis, computational and bio-distribution studies

et al. 2021

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Surrogating and redirection of pyrazolo[1,5- a ]pyrimidin-7(4 H )-one core, a novel class of potent and selective DPP-4 inhibitors

Cited by 16 publications

References 26 publications

The perceptions of natural compounds against dipeptidyl peptidase 4 in diabetes: fromin silicotoin vivo

The perceptions of natural compounds against dipeptidyl peptidase 4 in diabetes: fromin silicotoin vivo

DPP-4 inhibitors for treating T2DM - hype or hope? an analysis based on the current literature

New quinoxaline compounds as DPP-4 inhibitors and hypoglycemics: design, synthesis, computational and bio-distribution studies

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