ArticleBioorganic & medicinal chemistry2010
Affinity of aporphines for the human 5-HT2A receptor: insights from homology modeling and molecular docking studies.
Article in Bioorganic & medicinal chemistry, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 33 citations in OpenAlex.
- Total Synthesis of Aporphine Alkaloids via Photocatalytic Oxidative Phenol Coupling and Biological Evaluation at the Serotonin 5-HTJournal of medicinal chemistry · 2025Article
- Identification of C10 nitrogen-containing aporphines with dopamine DBioorganic & medicinal chemistry letters · 2020Article
- Novel piperidine-derived amide sEH inhibitors as mediators of lipid metabolism with improved stability.Prostaglandins & other lipid mediators · 2018Article
- In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinson's Disease.Current neuropharmacology · 2018Article
- Synthesis and evaluation of aporphine analogs containing C1 allyl isosteres at the h5-HT(2A) receptor.Bioorganic & medicinal chemistry letters · 2015Article
- C4 phenyl aporphines with selective h5-HT(2B) receptor affinity.Bioorganic & medicinal chemistry letters · 2015Article
- Aporphinoid antagonists of 5-HT2A receptors: further evaluation of ring A substituents and the size of ring C.Chemical biology & drug design · 2014Article
- Evaluation of structural effects on 5-HT(2A) receptor antagonism by aporphines: identification of a new aporphine with 5-HT(2A) antagonist activity.Bioorganic & medicinal chemistry letters · 2014Article
- Facile synthesis of 4,5,6a,7-tetrahydrodibenzo[de,g]chromene heterocycles and their transformation to phenanthrene alkaloids.Tetrahedron · 2013Article
- A New Route to Azafluoranthene Natural Products via Direct Arylation.European journal of organic chemistry · 2013Article
- New aporphinoid 5-HT2A and α1A antagonists via structural manipulations of nantenine.Bioorganic & medicinal chemistry · 2011Article
- Cytotoxicity of aporphines in human colon cancer cell lines HCT-116 and Caco-2: an SAR study.Bioorganic & medicinal chemistry letters · 2011Article
- Progress in structure based drug design for G protein-coupled receptors.Journal of medicinal chemistry · 2011Review
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Authors and funding
6 authors at 4 institutions in 1 country.
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Abstract
Analogs of nantenine were docked into a modeled structure of the human 5-HT(2A) receptor using ICM Pro, GLIDE, and GOLD docking methods. The resultant docking scores were used to correlate with observed in vitro apparent affinity (K(e)) data. The GOLD docking algorithm when used with a homology model of 5-HT(2A), based on a bovine rhodopsin template and built by the program MODELLER, gives results which are most in agreement with the in vitro results. Further analysis of the docking poses among members of a C1 alkyl series of nantenine analogs, indicate that they bind to the receptor in a similar orientation, but differently than nantenine. Besides an important interaction between the protonated nitrogen of the C1 alkyl analogs and residue Asp155, we identified Ser242, Phe234, and Gly238 as key residues responsible for the affinity of these compounds for the 5-HT(2A) receptor. Specifically, the ability of some of these analogs to establish a H-bond with Ser242 and hydrophobic interactions with Phe234 and Gly238 appears to explain their enhanced affinity as compared to nantenine.
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