Estimation of plasma protein binding of selected antipsychotics using computed molecular properties
| Autor: | Berić Jelena D., Jelić Ratomir M., Nešić Dejan M., Trbojević-Stanković Jasna B., Odović Jadranka V. |
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| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: | |
| Zdroj: | Archives of Biological Sciences, Vol 69, Iss 3, Pp 463-468 (2017) |
| Druh dokumentu: | article |
| ISSN: | 0354-4664 1821-4339 |
| DOI: | 10.2298/ABS160912121B |
| Popis: | The plasma protein binding (PPB) data of twelve antipsychotics (aripiprazole, clozapine, olanzapine, quetiapine, risperidone, sertindole, ziprasidone, chlorpromazine, flupentixol, fluphenazine, haloperidol, zuclopenthixol) were estimated using computed molecular descriptors, which included the electronic descriptor – polar surface area (PSA), the constitutional parameter – molecular weight (Mw), the geometric descriptor – volume value (Vol), the lipophilicity descriptor (logP) and aqueous solubility data (logS), and the acidity descriptor (pKa). The relationships between computed molecular properties of the selected antipsychotics and their PPB data were investigated by simple linear regression analysis. Low correlations were obtained between the PPB data of the antipsychotics and PSA, Mw, Vol, pKa, logS (R |
| Databáze: | Directory of Open Access Journals |
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