Key result
Theoretical chemistry calculations demonstrated that computed partition coefficients for AT1 receptor antagonists varied between 2.98 and 6.66, with telmisartan exhibiting the highest lipophilicity.
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May affect ARB tissue distribution; leaves open clinical relevance pending validation.
The theoretical chemistry methods were used to elucidate absorption, distribution and physicochemical properties of AT 1 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 AT 1 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 pK a 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 AT 1 receptor antagonists with increased absorption.
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Ježko et al. (2015) studied this question. AT1 receptor antagonists was evaluated on Physicochemical properties (lipophilicity, solubility, pKa, ADME). Theoretical chemistry calculations demonstrated that computed partition coefficients for AT1 receptor antagonists varied between 2.98 and 6.66, with telmisartan exhibiting the highest lipophilicity.
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