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

Pınar GÜLLER

doi:https://doi.org/10.21597/jist.827907

Makale detayları

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

Yazarlar:

Pınar GÜLLER

Yayıncı:

Igdir University

Dergi:

Journal of the Institute of Science and Technology 2021 Vol.11 Issue 2, pp.1385-1392

Belge Tipi:

Makale

Yayın Tarihi:

5/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000462923

Sıklık:

Üç Aylık

eISSN:

2536-4618

DOI:

https://doi.org/10.21597/jist.827907

Özet:

 

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.

Makale detayları

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

Yazarlar: Pınar GÜLLER

Yayıncı: Igdir University

Dergi: Journal of the Institute of Science and Technology 2021 Vol.11 Issue 2, pp.1385-1392

Belge Tipi: Makale

Yayın Tarihi: 5/2021

Belge Dili: İngilizce

Document ID (Org No.): 2000462923

Sıklık: Üç Aylık

eISSN: 2536-4618

DOI: https://doi.org/10.21597/jist.827907

Sayı

Yazarlar:

Pınar GÜLLER

Yayıncı:

Igdir University

Dergi:

Journal of the Institute of Science and Technology 2021 Vol.11 Issue 2, pp.1385-1392

Belge Tipi:

Makale

Yayın Tarihi:

5/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000462923

Sıklık:

Üç Aylık

eISSN:

2536-4618

DOI:

https://doi.org/10.21597/jist.827907