<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

Publicado en línea: 31 dic 2015

Páginas: 20 - 31

Recibido: 14 sept 2015

Aceptado: 21 oct 2015

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

Palabras clave
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

Publicado en línea: 31 dic 2015

Páginas: 20 - 31

Recibido: 14 sept 2015

Aceptado: 21 oct 2015

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

Palabras claveAT1 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

Palabras clave
AT1 receptor antagonists, physicochemical properties, absorption, distribution