ArticleJournal of chemical information and modeling2009
Comparative docking study of anibamine as the first natural product CCR5 antagonist in CCR5 homology models.
Article in Journal of chemical information and modeling, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed, 34 citations in OpenAlex.
- Identification of Isoliensinine as a Novel CCR5 Inhibitor for the Prevention of Skeletal Muscle Atrophy Through Virtual Screening and Experimental Validation.Molecules (Basel, Switzerland) · 2026Article
- Structure-Based Design and Development of Chemical Probes Targeting Putative MOR-CCR5 Heterodimers to Inhibit Opioid Exacerbated HIV-1 Infectivity.Journal of medicinal chemistry · 2021Article
- Research trends in pharmacological modulation of tumor-associated macrophages.Clinical and translational medicine · 2021Review
- Anibamine and Its Analogues: Potent Antiplasmodial Agents fromJournal of natural products · 2020Article
- Diazabicyclo analogues of maraviroc: synthesis, modeling, NMR studies and antiviral activity.MedChemComm · 2017Article
- Anti-HIV drug development through computational methods.The AAPS journal · 2014Review
- A homology modeling study toward the understanding of three-dimensional structure and putative pharmacological profile of the G-protein coupled receptor GPR55.Journal of molecular graphics & modelling · 2013Article
- Design and synthesis of a bivalent ligand to explore the putative heterodimerization of the mu opioid receptor and the chemokine receptor CCR5.Organic & biomolecular chemistry · 2012Article
- Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study.PloS one · 2012Article
- Discovery of entry inhibitors for HIV-1 via a new de novo protein design framework.Biophysical journal · 2010Article
- Anibamine, a natural product CCR5 antagonist, as a novel lead for the development of anti-prostate cancer agents.Bioorganic & medicinal chemistry letters · 2010Article
- Computational methods for de novo protein design and its applications to the human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases.Current drug targets · 2010Review
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Anibamine, a novel pyridine quaternary alkaloid recently isolated from Aniba sp., has been found to effectively bind to the chemokine receptor CCR5 with an IC(50) at 1 microM in competition with (125)I-gp120, an HIV viral envelope protein binding to CCR5 with high affinity. Since CCR5, a G-protein-coupled receptor, is an essential coreceptor for the human immunodeficiency virus type I (HIV-1) entry to host cells, a CCR5 antagonist that inhibits the cellular entry of HIV-1 provides a new therapy choice for the treatment of HIV. Anibamine provides a novel structural skeleton that is remarkably different from all lead compounds previously identified as CCR5 antagonists. Here, we report comparative docking studies of anibamine with several other known CCR5 antagonists in two CCR5 homology models built based on the crystal structures of bovine rhodopsin and human beta(2)-adrenergic receptor. The binding pocket of anibamine has some common features shared with other high affinity CCR5 antagonists, suggesting that they may bind in similar binding sites and/or modes. At the same time, several unique binding features of anibamine were identified, and it will likely prove beneficial in future molecular design of novel CCR5 antagonists based on the anibamine scaffold.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.