Synthesis and Structure−Activity Relationships of a New Model of Arylpiperazines. 8.1Computational Simulation of Ligand−Receptor Interaction of 5-HT1AR Agonists with Selectivity over α1-Adrenoceptors

2005 ◽  
Vol 48 (7) ◽  
pp. 2548-2558 ◽  
Author(s):  
María L. López-Rodríguez ◽  
Maria José Morcillo ◽  
Esther Fernández ◽  
Bellinda Benhamú ◽  
Ignacio Tejada ◽  
...  
Keyword(s):  
Receptor Interaction ◽  
New Model ◽  
Structure Activity Relationships ◽  
Structure Activity

Mixed 5-HT1A/D-2 activity of a new model of arylpiperazines: 1-aryl-4-[3-(1,2-dihydronaphthalen-4-yl)-n-propyl]piperazines. 1. Synthesis and structure-activity relationships

1994 ◽  
Vol 37 (1) ◽  
pp. 99-104 ◽  
Author(s):  
Roberto Perrone ◽  
Francesco Berardi ◽  
Nicola A. Colabufo ◽  
Vincenzo Tortorella ◽  
Francesco Fiorentini ◽  
...  
Keyword(s):  
New Model ◽  
Structure Activity Relationships ◽  
Structure Activity

Synthesis and Structure−Activity Relationships of a New Model of Arylpiperazines. 1. 2-[[4-(o-Methoxyphenyl)piperazin-1-yl]methyl]-1,3- dioxoperhydroimidazo[1,5-a]pyridine:  A Selective 5-HT1AReceptor Agonist

1996 ◽  
Vol 39 (22) ◽  
pp. 4439-4450 ◽  
Author(s):  
María L. López-Rodríguez ◽  
M Luisa Rosado ◽  
Bellinda Benhamú ◽  
M José Morcillo ◽  
Antonio M. Sanz ◽  
...  
Keyword(s):  
New Model ◽  
Structure Activity Relationships ◽  
Structure Activity

scholarly journals A Template-Based Approach for Guiding and Refining the Development of Cinnamon-Based Phenylpropanoids as Drugs

Molecules ◽  
2020 ◽  
Vol 25 (20) ◽  
pp. 4629
Author(s):  
Ngoc Uy Nguyen ◽  
Brendan David Stamper
Keyword(s):  
Gene Expression ◽  
Effective Means ◽  
Cost Effective ◽  
Receptor Interaction ◽  
Individual Treatment ◽  
Template Effect ◽  
Structural Modifications ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Biologic Activity

Background: Structure-activity relationships describe the relationship between chemical structure and biologic activity and are capable of informing deliberate structural modifications to a molecule in order enhance drug properties. Methods: Here, we present a subtle, yet unique twist on structure-activity relationships in which a collective biologic activity was measured among five cinnamon constituents with a shared phenylpropanoid template (cinnamic acid, cinnamaldehyde, chlorogenic acid, caffeic acid, and ferulic acid). This template-based approach utilized publicly available transcriptomic data through the Gene Expression Omnibus (GEO) to identify a fundamental biologic effect; in essence, a phenylpropanoid template effect. Results: The recurrent identification of cytokine-cytokine receptor interaction and neuroactive ligand receptor pathways in each individual treatment condition strongly supports the fact that changes in gene expression within these pathways is a hallmark of the phenylpropanoid template. With a template effect identified, future structural modifications can be performed in order to overcome pharmacokinetic barriers to clinical use (i.e., traditional structure-activity relationship experiments). Moreover, these modifications can be implemented with a high degree of confidence knowing that a consistent and robust template effect is likely to persist. Conclusion: We believe this template-based approach offers researchers an attractive and cost-effective means for evaluating multicomponent natural products during drug development.

Synthesis and structure–activity relationships of a new model of arylpiperazines. Part 7: Study of the influence of lipophilic factors at the terminal amide fragment on 5-HT1A affinity/selectivity

2004 ◽  
Vol 12 (6) ◽  
pp. 1551-1557 ◽  
Author(s):  
Marı́a L López-Rodrı́guez ◽  
David Ayala ◽  
Alma Viso ◽  
Bellinda Benhamú ◽  
Roberto Fernández de la Pradilla ◽  
...  
Keyword(s):  
New Model ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Amide Fragment
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