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Related Concept Videos

Glucagon-like Receptor Agonists01:24

Glucagon-like Receptor Agonists

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Incretins include glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP), which stimulate insulin secretion post-meals. In type 2 diabetes, GIP's efficacy is reduced, making GLP-1 a viable drug target. GIP originates from preproGIP.
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Glucose transporters facilitate the transport of glucose across the cell membrane. In addition to glucose, some glucose transporters can also aid the movement of other hexoses such as fructose, mannose, and galactose.
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Complex carbohydrates consumed cannot be absorbed into the small intestine in their original form. First, they must be hydrolyzed to a monosaccharide form such as glucose or galactose. These monosaccharides are then transported across the intestinal membrane and into the blood via transcellular transport. The intestinal epithelial cells allow the movement of these monosaccharides with a defined 'entry' through membrane transporter proteins present on their apical membrane and...
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Insulin action is mediated through a receptor tyrosine kinase, akin to the IGF-1 receptor. The number of receptors per cell varies significantly, from 40 on erythrocytes to 300,000 on adipocytes and hepatocytes. The insulin receptor consists of linked α/β subunit dimers, forming a heterotetramer glycoprotein with two extracellular α subunits and two β subunits spanning the membrane. The α subunits inhibit the inherent tyrosine kinase activity of the β subunits, but...
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G Protein-Coupled Receptors or GPCRs are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to sensory stimuli such as light, odors, hormones, cytokines, or neurotransmitters.
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One example of how cells use the energy contained in electrochemical gradients is demonstrated by glucose transport into cells. The ion vital to this process is sodium (Na+), which is typically present in higher concentrations extracellularly than in the cytosol. Such a concentration difference is due, in part, to the action of an enzyme "pump" embedded in the cellular membrane that actively expels Na+ from a cell. Importantly, as this pump contributes to the high concentration of...
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An In Ovo Model for Testing Insulin-mimetic Compounds
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Design a synthetic glucose receptor using computational intelligence approach.

Rajesh Kondabala1, Vijay Kumar2, Amjad Ali1

  • 1School of Chemistry and Biochemistry, Thapar Institute of Engineering and Technology, Patiala, Punjab, India.

Journal of Molecular Graphics & Modelling
|November 27, 2020
PubMed
Summary
This summary is machine-generated.

Computational screening identified novel synthetic glucose receptors for improved glucose sensors and insulin therapies. This in-silico approach models molecular interactions, paving the way for new diabetes management tools.

Keywords:
Glucose recognitionHydrogen bondingMolecular dynamics simulationsMolecular modelingVirtual screening

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Area of Science:

  • Computational chemistry
  • Biomolecular modeling
  • Drug discovery

Background:

  • Designing effective glucose recognition molecules for aqueous systems is challenging.
  • Synthetic glucose receptors are crucial for developing advanced glucose sensors and alternative insulin therapies.

Purpose of the Study:

  • To propose an in-silico molecular screening hypothesis to overcome challenges in glucose receptor modeling.
  • To computationally design novel glucose receptors mimicking natural systems.

Main Methods:

  • Screening small organic compounds from databases for glucose receptor modeling.
  • Utilizing molecular interaction, geometry optimization, and molecular dynamics for computational analysis.
  • Predicting glucose molecule orientation and binding within developed receptors.

Main Results:

  • In-silico screening identified ZINC82047919, ZINC238094340, and ZINC238519600 as promising compounds for glucose receptor models.
  • Molecular dynamics simulations indicated ZINC238094340-based receptors showed conformational instability.
  • Receptors derived from ZINC238094340 and ZINC238519600 were selected as reference glucose binding receptors.

Conclusions:

  • The proposed computational approach successfully developed novel glucose receptors.
  • This method can be applied to design receptors for glucose and other related sugar molecules.
  • The study provides a foundation for developing next-generation glucose sensing and therapeutic technologies.