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Pregled bibliografske jedinice broj: 1230548

Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures


Rajić, Martina; Jeličić, Mario-Livio; Cindro, Nikola; Kovačić, Jelena; Amidžić Klarić, Daniela; Mornar Turk, Ana
Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures // SiC2022 Book of Abstracts / Kassal, Petar ; Meštrović, Ernest ; Namjesnik, Danijel ; Ribić, Rosana ; Šekutor, Marina ; Tomišić ; Vladislav Tomišić, Usenik, Andrea (ur.).
Sveti Martin na Muri, 2022. str. 110-110 (poster, domaća recenzija, sažetak, znanstveni)


CROSBI ID: 1230548 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures

Autori
Rajić, Martina ; Jeličić, Mario-Livio ; Cindro, Nikola ; Kovačić, Jelena ; Amidžić Klarić, Daniela ; Mornar Turk, Ana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
SiC2022 Book of Abstracts / Kassal, Petar ; Meštrović, Ernest ; Namjesnik, Danijel ; Ribić, Rosana ; Šekutor, Marina ; Tomišić ; Vladislav Tomišić, Usenik, Andrea - Sveti Martin na Muri, 2022, 110-110

Skup
Solutions in Chemistry

Mjesto i datum
Sveti Martin na Muri, Hrvatska, 8-11.11.2022

Vrsta sudjelovanja
Poster

Vrsta recenzije
Domaća recenzija

Ključne riječi
ADME, biomimetic chromatography, computational procedures, drugs, in silico, sulfonylurea, QSPR

Sažetak
Sulfonylureas are the oldest class of oral antidiabetic medication used to treat type 2 diabetes. There are two generations of sulfonylureas, and both are equally effective in lowering glucose concentration in the blood. Still, they differ in pharmacological properties such as absorption, metabolism, elimination, and dosing. Therefore, modern and advanced methods are being researched daily to determine the pharmacological properties of the new potential drugs. One of the latest methods is biomimetic chromatography which uses columns that mimic biological conditions and computer (in silico) methods that predict various ADME (Adsorption, Distribution, Metabolism, Excretion) and QSPR (Quantitative Structure- Property Relationship) parameters. The present study was designed to gain insight into the ADME parameters such as lipophilicity, solubility, phospholipophilicity, protein plasma binding, oral bioavailability, distribution coefficient, gastrointestinal absorption, and compliance with Lipinski's "rule of five" of three sulfonylureas (N- methylcarbamoyl)-4- methylbenzenesulfoamide, (N- benzylcarbamoyl)-4- methylbenzenesulfonamide, and 1, 1’- trimethylenebis[3-(p-tolylsulfonyl)-urea] by using HPLC biomimetic chromatography and various computer programs for prediction of stated properties. More precisely, our study focused on determining the lipophilicity and phospholipopilicity of three sulfonylureas using C18 (octadecylsilane) chromatographic and Immobilized Artificial Membrane (IAM) columns. Chromatographic columns with human serum albumin (HSA) and α-1-acid glycoprotein (AGP) were used to characterize plasma proteins binding. Various free and commercially available programs were used to predict the ADME properties of stated compounds. For the parameters for which it was possible, the experimentally obtained values were correlated with the calculated ones. The experimental results showed that all three sulfonylureas are lipophilic, interact with phospholipids, and bind to HSA and AGP plasma proteins. Furthermore, a high coefficient of determination (R2>0.9) was obtained for most of the calculated parameters with experimentally determined parameters. Therefore, obtained calculated and experimental values' results would benefit further research of the analyzed sulfonylureas as potential drugs.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Interdisciplinarne prirodne znanosti, Računarstvo, Temeljne medicinske znanosti, Farmacija



POVEZANOST RADA


Ustanove:
Farmaceutsko-biokemijski fakultet, Zagreb,
Prirodoslovno-matematički fakultet, Zagreb,
Sveučilište u Zagrebu

Citiraj ovu publikaciju:

Rajić, Martina; Jeličić, Mario-Livio; Cindro, Nikola; Kovačić, Jelena; Amidžić Klarić, Daniela; Mornar Turk, Ana
Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures // SiC2022 Book of Abstracts / Kassal, Petar ; Meštrović, Ernest ; Namjesnik, Danijel ; Ribić, Rosana ; Šekutor, Marina ; Tomišić ; Vladislav Tomišić, Usenik, Andrea (ur.).
Sveti Martin na Muri, 2022. str. 110-110 (poster, domaća recenzija, sažetak, znanstveni)
Rajić, M., Jeličić, M., Cindro, N., Kovačić, J., Amidžić Klarić, D. & Mornar Turk, A. (2022) Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures. U: Kassal, P., Meštrović, E., Namjesnik, D., Ribić, R., Šekutor, M., Tomišić & Vladislav Tomišić, Usenik, Andrea (ur.)SiC2022 Book of Abstracts.
@article{article, author = {Raji\'{c}, Martina and Jeli\v{c}i\'{c}, Mario-Livio and Cindro, Nikola and Kova\v{c}i\'{c}, Jelena and Amid\v{z}i\'{c} Klari\'{c}, Daniela and Mornar Turk, Ana}, year = {2022}, pages = {110-110}, keywords = {ADME, biomimetic chromatography, computational procedures, drugs, in silico, sulfonylurea, QSPR}, title = {Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures}, keyword = {ADME, biomimetic chromatography, computational procedures, drugs, in silico, sulfonylurea, QSPR}, publisherplace = {Sveti Martin na Muri, Hrvatska} }
@article{article, author = {Raji\'{c}, Martina and Jeli\v{c}i\'{c}, Mario-Livio and Cindro, Nikola and Kova\v{c}i\'{c}, Jelena and Amid\v{z}i\'{c} Klari\'{c}, Daniela and Mornar Turk, Ana}, year = {2022}, pages = {110-110}, keywords = {ADME, biomimetic chromatography, computational procedures, drugs, in silico, sulfonylurea, QSPR}, title = {Characterization of Sulfonylureas’ ADME Properties Using Biomimetic Chromatography and Computational Procedures}, keyword = {ADME, biomimetic chromatography, computational procedures, drugs, in silico, sulfonylurea, QSPR}, publisherplace = {Sveti Martin na Muri, Hrvatska} }




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