In Silico Investigation of the Neurotensin Receptor 1 Binding Site: Overlapping Binding Modes for Small Molecule Antagonists and the Endogenous Peptide Agonist
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Summary
These models provide new insights into small molecule ligand binding to NTSR1 and could facilitate the structure‐based design of non‐peptide ligands for the evaluation of the pharmacological potential of NTSR 1 in neurological disorders and cancer.
- Type
- article
- Published
- 2016-01-01
- Cited by
- 10
- References
- 36
- Access
- Open access
- OpenAlex
- https://openalex.org/W1923951624
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:10250160
Keywords
In silico, Agonist, Neurotensin, Binding site, Neurotensin receptor
References
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- Characterization of the profile of neurokinin-2 and neurotensin receptor antagonists in the mouse defense test battery.
- Structure of the agonist-bound neurotensin receptor
- Prediction of the binding energy for small molecules, peptides and proteins
- Microinfusions of neurotensin antagonist SR 48692 within the nucleus accumbens core impair spatial learning in rats.
- Four-dimensional Docking: a Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking
- Community-wide assessment of GPCR structure modeling and docking understanding
- Molecular cloning of a levocabastine‐sensitive neurotensin binding site
- ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
- Neurotensin Receptor Antagonist Administered during Cocaine Withdrawal Decreases Locomotor Sensitization and Conditioned Place Preference
- Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors
- Increased plasma neurotensin concentrations in patients with Parkinson's disease
- Ligand Discovery from a Dopamine D3 Receptor Homology Model and Crystal Structure
- ANTINOCISPONSIVE EFFECTS OF NEUROTENSIN AND NEUROTENSIN‐RELATED PEPTIDES
- ALiBERO: Evolving a team of complementary pocket conformations rather than a single leader
Cited by
- Development of Covalent Ligand-Receptor Pairs to Study the Binding Properties of Nonpeptidic Neurotensin Receptor 1 Antagonists.
- From Homology Models to a Set of Predictive Binding Pockets – a 5-HT1A Receptor Case Study
- Improving virtual screening of G protein-coupled receptors via ligand-directed modeling
- Structure-Activity Investigations and Optimisations of Non-metabolite Agonists for the Succinate Receptor 1
- Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism
- Neurotensin: A novel mediator of ovulation?
- In silico SELEX screening and statistical analysis of newly designed 5mer peptide-aptamers as Bcl-xl inhibitors using the Taguchi method
- Structural Understanding of Peptide-Bound G Protein-Coupled Receptors: Peptide-Target Interactions.
- Reshaping [99mTc]Tc-DT11 to DT14D Tagged with Trivalent Radiometals for NTS1R-Positive Cancer Theranostics
- N-Terminal Stabilization of Radiolabeled Neurotensin Analogues for Improved Tumor Uptake.
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