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In silico pharmacokinetics and toxic properties of peptide with anticoagulant activity isolated from peloidстатья
- Автор: Kalinin E.P.
- Журнал: Медицинская наука и образование Урала
- Том: 22
- Номер: 4
- Год издания: 2021
- Первая страница: 38
- Последняя страница: 40
- DOI: 10.36361/1814-8999-2021-22-4-38-40
- Аннотация: Aim. The aim of study is determine the potential of pharmacological activity in in silico modeling of a peptide with a confirmed anticoagulant effect, isolated from peloid. Materials and methods. The object of the study was previously obtained information on the amino acid sequence of the peptide isolated from the sapropel of Lake Big Taraskul. Its amino acid sequence was standardized according to international classifications (FASTA, SMILES) and processed using software (ADMETlab 2.0). The results of mathematical modeling in silico were correlated with our own experimental data of testing the compound in vitro and in vivo. Results. The data obtained by modeling the parameters of pharmacological activity in silico indicate that this amino acid sequence requires optimization of the chemical structure in terms of excretion directions, metabolic pathways in the liver, solubility and stability in aqueous solutions.
- Добавил в систему: Калинин Евгений Павлович