Evaluation of the bioavailability of 1H-imidazole-4,5-dicarboxylic acid derivatives using the calculated and experimental lipophilicity index of the molecule logP
- Authors: Iljin V.V.1, Litasova E.V.1, Kvasov M.S.1, Brusina M.A.1, Piotrovskiy L.B.1
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Affiliations:
- Institute of Experimental Medicine
- Issue: Vol 20, No 1 (2022)
- Pages: 55-60
- Section: Original articles
- Submitted: 26.05.2022
- Accepted: 26.05.2022
- Published: 27.05.2022
- URL: https://journals.eco-vector.com/RCF/article/view/108256
- DOI: https://doi.org/10.17816/RCF20155-60
- ID: 108256
Cite item
Abstract
BACKGROUND: It is important to know the ability of a substance to penetrate the cell membrane to assess the bioavailability of drugs. The distribution of matter between the organic phase and water can be used as a model of the distribution between the membrane and extracellular fluid, and can be expressed by a partion coefficient, called logP.
AIM: The aim of this work was to determine the logP of 1H-imidazole-4,5-dicarboxylic acid (IDC) derivatives in various media and compare the values with theoretical ones.
RESULTS: As a result of the work, the distribution coefficients of the IDC derivatives were determined from the optical density data for a fixed wavelength of 250 nm (without a buffer). The distribution coefficients of the IDC derivatives over the maxima of the UV spectra (in the buffer) were determined. A comparison of theoretical and experimental values of the distribution coefficients of some IDC derivatives is carried out.
CONCLUSION: Thus, it has been shown that for a more accurate assessment of the bioavailability of drugs, it is not enough to rely only on the calculated logP index, it is necessary to conduct an experimental test, or introduce some correction factors to recalculate the theoretical logP index, in each specific class of compounds.
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About the authors
Victor V. Iljin
Institute of Experimental Medicine
Author for correspondence.
Email: victor.iljin@mail.ru
ORCID iD: 0000-0002-1012-7561
SPIN-code: 5559-8089
Cand. Sci. (Chem.), Researcher
Russian Federation, Saint PetersburgElena V. Litasova
Institute of Experimental Medicine
Email: llitasova@mail.ru
ORCID iD: 0000-0002-0999-8212
SPIN-code: 5568-8939
Cand. Sci. (Biol.), Leading Researcher
Russian Federation, Saint PetersburgMaksim S. Kvasov
Institute of Experimental Medicine
Email: yorick7@mail.ru
ORCID iD: 0000-0002-8379-9836
SPIN-code: 2156-9846
Student
Russian Federation, Saint PetersburgMariia A. Brusina
Institute of Experimental Medicine
Email: mashasemen@gmail.com
ORCID iD: 0000-0001-8433-120X
SPIN-code: 8953-8772
Cand. Sci. (Chem.), Junior Researcher
Russian Federation, Saint PetersburgLevon B. Piotrovskiy
Institute of Experimental Medicine
Email: levon-piotrovsky@yandex.ru
ORCID iD: 0000-0001-8679-1365
SPIN-code: 2927-6178
Dr. Sci. (Biol.), Head of the Laboratory
Russian Federation, Saint PetersburgReferences
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