<abstract xmlns="http://www.w3.org/1999/xhtml"> The theoretical chemistry methods were used to elucidate absorption, distribution and physicochemical properties of AT1 receptor antagonists and dual angiotensin II and endothelin A receptor antagonist (PS-433540). Computed partition coefficients (ALOGPS method) studied for drugs varied between 2.98 and 6.66. Neutral compounds are described as lipophilic drugs. Telmisartan is a drug with the highest lipophilicity. The neutral forms of the studied AT1 receptor antagonists are practically insoluble in water, and their computed solubilities is in interval between 2.04 and 22.65 mg/l (ALOGpS method). The calculated pKa values for tetrazolyle moiety are in the range 3.92-5.00 and for carboxylic moiety 3.12-5.50. Telmisartan (polar surface area = 72.95 A) and irbesartan (polar surface area = 87.14 A) belong to the AT1 receptor antagonists with increased absorption.</abstract>

The theoretical chemistry methods were used to elucidate absorption, distribution and physicochemical properties of AT1 receptor antagonists and dual angiotensin II and endothelin A receptor antagonist (PS-433540). Computed partition coefficients (ALOGPS method) studied for drugs varied between 2.98 and 6.66. Neutral compounds are described as lipophilic drugs. Telmisartan is a drug with the highest lipophilicity. The neutral forms of the studied AT1 receptor antagonists are practically insoluble in water, and their computed solubilities is in interval between 2.04 and 22.65 mg/l (ALOGpS method). The calculated pKa values for tetrazolyle moiety are in the range 3.92-5.00 and for carboxylic moiety 3.12-5.50. Telmisartan (polar surface area = 72.95 A) and irbesartan (polar surface area = 87.14 A) belong to the AT1 receptor antagonists with increased absorption.

Modelling of absorption, distribution and physicochemical properties of AT1 receptor antagonists / Modelovanie absorpcie, distribúcie a fyzikálnochemických vlastnosti antagonistov AT1 receptorov

Comenius University in Bratislava, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Bratislava, Slovak Republic

Comenius University in Bratislava, Faculty of Pharmacy, Department of Languages, Bratislava, Slovak Republic

European Pharmaceutical Journal

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Modelling of absorption, distribution and physicochemical properties of AT receptor antagonists / Modelovanie absorpcie, distribúcie a fyzikálnochemických vlastnosti antagonistov AT receptorov

The theoretical chemistry methods were used to elucidate absorption, distribution and physicochemical properties of AT1 receptor antagonists and dual...

Modelling of absorption, distribution and physicochemical properties of AT₁ receptor antagonists / Modelovanie absorpcie, distribúcie a fyzikálnochemických vlastnosti antagonistov AT₁ receptorov

Published Online: Dec 31, 2015

Page range: 20 - 31

Received: Sep 14, 2015

Accepted: Oct 21, 2015

DOI: https://doi.org/10.1515/afpuc-2015-0028

Keywords
AT1 receptor antagonists, physicochemical properties, absorption, distribution

© by Pavol Ježko

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Modelling of absorption, distribution and physicochemical properties of AT1 receptor antagonists / Modelovanie absorpcie, distribúcie a fyzikálnochemických vlastnosti antagonistov AT1 receptorov

Published Online: Dec 31, 2015

Page range: 20 - 31

Received: Sep 14, 2015

Accepted: Oct 21, 2015

DOI: https://doi.org/10.1515/afpuc-2015-0028

KeywordsAT1 receptor antagonists, physicochemical properties, absorption, distribution

© by Pavol Ježko

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Modelling of absorption, distribution and physicochemical properties of AT₁ receptor antagonists / Modelovanie absorpcie, distribúcie a fyzikálnochemických vlastnosti antagonistov AT₁ receptorov

Keywords
AT1 receptor antagonists, physicochemical properties, absorption, distribution