Year 2021, Volume 11 , Issue 2, Pages 1385 - 1392 2021-06-01

Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study
Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study

Pınar GÜLLER [1]


Carbonic Anhydrase-I (CA-I) is the most abundant CA isozyme expressed in human erythrocytes and the gastrointestinal (GI) tract. CA-I acts in promoting biocalcification. It is well known that inhibitors of carbonic anhydrase (CAIs) are widely used in the remedy of some diseases such as edema, glaucoma, idiopathic intracranial hypertension, and osteoporosis. So, in this study, it was aimed to analyze primer effects of 4-ethylresorcinol and 5-methylresorcinol on hCA-I and to clarify inhibition profiles of compounds. For this purpose, firstly hCA-I was isolated from human erythrocytes by affinity chromatography. Secondly, in vitro inhibition studies were performed and interactions between compounds and enzyme were explained via molecular docking study. Both 4-ethylresorcinol and 5-methylresorcinol inhibited the enzyme competitively with Ki constant of 0.81±0.23 and 0.79±0.14 μM. According to molecular docking analysis estimated free energy of binding of compounds were predicted as -4.81 and -4.51 kcal.mol-1 respectively.
Carbonic Anhydrase-I (CA-I) is the most abundant CA isozyme expressed in human erythrocytes and the gastrointestinal (GI) tract. CA-I acts in promoting biocalcification. It is well known that inhibitors of carbonic anhydrase (CAIs) are widely used in the remedy of some diseases such as edema, glaucoma, idiopathic intracranial hypertension, and osteoporosis. So, in this study, it was aimed to analyze primer effects of 4-ethylresorcinol and 5-methylresorcinol on hCA-I and to clarify inhibition profiles of compounds. For this purpose, firstly hCA-I was isolated from human erythrocytes by affinity chromatography. Secondly, in vitro inhibition studies were performed and interactions between compounds and enzyme were explained via molecular docking study. Both 4-ethylresorcinol and 5-methylresorcinol inhibited the enzyme competitively with Ki constant of 0.81±0.23 and 0.79±0.14 μM. According to molecular docking analysis estimated free energy of binding of compounds were predicted as -4.81 and -4.51 kcal.mol-1 respectively.
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Primary Language en
Subjects Science
Published Date Haziran-2021
Journal Section Kimya / Chemistry, Kimya Mühendisliği / Chemical Engineering
Authors

Orcid: 0000-0001-8482-7889
Author: Pınar GÜLLER (Primary Author)
Institution: ATATÜRK ÜNİVERSİTESİ
Country: Turkey


Dates

Application Date : November 18, 2020
Acceptance Date : December 15, 2020
Publication Date : June 1, 2021

Bibtex @research article { jist827907, journal = {Journal of the Institute of Science and Technology}, issn = {2146-0574}, eissn = {2536-4618}, address = {}, publisher = {Igdir University}, year = {2021}, volume = {11}, pages = {1385 - 1392}, doi = {10.21597/jist.827907}, title = {Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study}, key = {cite}, author = {Güller, Pınar} }
APA Güller, P . (2021). Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study . Journal of the Institute of Science and Technology , 11 (2) , 1385-1392 . DOI: 10.21597/jist.827907
MLA Güller, P . "Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study" . Journal of the Institute of Science and Technology 11 (2021 ): 1385-1392 <https://dergipark.org.tr/en/pub/jist/issue/61423/827907>
Chicago Güller, P . "Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study". Journal of the Institute of Science and Technology 11 (2021 ): 1385-1392
RIS TY - JOUR T1 - Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study AU - Pınar Güller Y1 - 2021 PY - 2021 N1 - doi: 10.21597/jist.827907 DO - 10.21597/jist.827907 T2 - Journal of the Institute of Science and Technology JF - Journal JO - JOR SP - 1385 EP - 1392 VL - 11 IS - 2 SN - 2146-0574-2536-4618 M3 - doi: 10.21597/jist.827907 UR - https://doi.org/10.21597/jist.827907 Y2 - 2020 ER -
EndNote %0 Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study %A Pınar Güller %T Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study %D 2021 %J Journal of the Institute of Science and Technology %P 2146-0574-2536-4618 %V 11 %N 2 %R doi: 10.21597/jist.827907 %U 10.21597/jist.827907
ISNAD Güller, Pınar . "Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study". Journal of the Institute of Science and Technology 11 / 2 (June 2021): 1385-1392 . https://doi.org/10.21597/jist.827907
AMA Güller P . Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study. Iğdır Üniv. Fen Bil Enst. Der.. 2021; 11(2): 1385-1392.
Vancouver Güller P . Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study. Journal of the Institute of Science and Technology. 2021; 11(2): 1385-1392.
IEEE P. Güller , "Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study", Journal of the Institute of Science and Technology, vol. 11, no. 2, pp. 1385-1392, Jun. 2021, doi:10.21597/jist.827907