ArticlePloS one2019
Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands.
Article in PloS one, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Article
- Modeling of Protein Complexes.Methods in molecular biology (Clifton, N.J.) · 2023Article
- Article
- A Guide to In Silico Drug Design.Pharmaceutics · 2022Review
- Molecular Modeling of Histamine Receptors-Recent Advances in Drug Discovery.Molecules (Basel, Switzerland) · 2021Review
- Modeling antimalarial and antihuman African trypanosomiasis compounds: a ligand- and structure-based approaches.Molecular diversity · 2020Article
- Development of a Conformational Histamine HACS sensors · 2020Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this study, we report a ligand-guided homology modeling approach allowing the analysis of relevant binding site residue conformations and the identification of two novel histamine H3 receptor ligands with binding affinity in the nanomolar range. The newly developed method is based on exploiting an essential charge interaction characteristic for aminergic G-protein coupled receptors for ranking 3D receptor models appropriate for the discovery of novel compounds through virtual screening.
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Registered trials
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