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2D-QSAR and 3D-QSAR/CoMSIA Studies on a Series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-Phenylethan-1-ol with Human β₃-Adrenergic Activity.

Author: ApablazaGastón, ChungHery, CuellarMauricio, LagosCarlos F, MellaJaime, MelladoMarco, MontoyaLuisa, Morales-VerdejoCesar, Pessoa-MahanaCarlos David, Soto-DelgadoJorge

Journal ArticleAn article published in an academic or professional journal that reports original research or scholarly analysis.

Overview

The β₃ adrenergic receptor is a promising drug target for the treatment of pathologies such as diabetes, obesity, depression, and cardiac diseases. This study presents the first combined 2D-QSAR and 3D-QSAR/CoMSIA study on a series of potent β₃ adrenergic agonists of indole-alkylamine structure. The study found that a series of changes can be made in the steric, hydrogen-bond donor and acceptor, lipophilicity and molar refractivity properties of the compounds to generate new promising molecules.
Paper Details　
Original Abstract of the Article :
The β₃ adrenergic receptor is raising as an important drug target for the treatment of pathologies such as diabetes, obesity, depression, and cardiac diseases among others. Several attempts to obtain selective and high affinity ligands have been made. Currently, Mirabegron is the only available drug...See full text at original site
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ラクダ博士は、Health Journal が論文の内容を分かりやすく解説するために作成した架空のキャラクターです。
難解な医学論文を、専門知識のない方にも理解しやすいように、噛み砕いて説明することを目指しています。

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引用元：
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155312/

データ提供：米国国立医学図書館（NLM）

A Journey Through the Desert of Beta-3 Adrenergic Receptor Research

This study delves into the world of beta-3 adrenergic receptor research, exploring the potential of this receptor as a target for various therapeutic applications. Imagine a camel navigating a vast and diverse desert landscape, encountering a variety of potential challenges. The study utilizes 2D-QSAR and 3D-QSAR/CoMSIA approaches to analyze a series of potent beta-3 adrenergic agonists, identifying key structural features that contribute to their activity. The authors found that specific changes in steric, hydrogen-bond donor/acceptor, lipophilicity, and molar refractivity properties can be used to improve beta-3 adrenergic activity. This study provides valuable insights into the structure-activity relationship of these compounds, guiding the development of new and improved drugs targeting this receptor.

Unveiling the Secrets of the Desert

This study utilizes advanced computational techniques to uncover the intricate details of molecular structure and activity. Just like a camel uses its keen senses to navigate the desert landscape, these methods allow researchers to explore the hidden details of molecular interactions. This research highlights the power of computational tools in drug discovery, enabling researchers to identify promising candidates for further development.

A New Path to Innovation

This study underscores the importance of continued research and innovation in the field of beta-3 adrenergic receptor research. Just like a camel caravan constantly seeks new and safer routes through the desert, scientists are always striving to develop more effective and selective drugs targeting this receptor. This research provides a framework for future investigations, paving the way for the development of new therapies for various conditions.

Dr. Camel's Conclusion

This study provides valuable insights into the structure-activity relationship of beta-3 adrenergic agonists, guiding the development of new and improved drugs targeting this receptor. It's a reminder that scientific research, much like a camel's journey through the desert, is a continuous exploration of the unknown, seeking to uncover new knowledge and potential solutions for improving human health.
Date :
  1. Date Completed 2017-05-18
  2. Date Revised 2018-12-07
Further Info :

Pubmed ID

28273884

DOI: Digital Object Identifier

PMC6155312

Related Literature

Article Analysis
・Side Effects of vibegron
SNS
PICO Info
in preparation
Languages

English

Positive IndicatorAn AI analysis index that serves as a benchmark for how positive the results of the study are. Note that it is a benchmark and requires careful interpretation and consideration of different perspectives.

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