Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study
<p class="orbitalabstract">This paper presented the comparative binding interaction of ethyl-4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (4-HP2OTP) and ethyl-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2-HP2STP)...
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| Format: | Article |
| Language: | English |
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Universidade Federal de Mato Grosso do Sul
2018-04-01
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| Series: | Orbital: The Electronic Journal of Chemistry |
| Subjects: | |
| Online Access: | http://orbital.ufms.br/index.php/Chemistry/article/view/1116 |
| _version_ | 1818294208662863872 |
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| author | Ajay Madhukarrao Pisudde Pradip Vitthalrao Tekade Shrikant Bandupant Thakare |
| author_facet | Ajay Madhukarrao Pisudde Pradip Vitthalrao Tekade Shrikant Bandupant Thakare |
| author_sort | Ajay Madhukarrao Pisudde |
| collection | DOAJ |
| description | <p class="orbitalabstract">This paper presented the comparative binding interaction of ethyl-4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (4-HP2OTP) and ethyl-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2-HP2STP) to bovine serum albumin (BSA) in 1,4-dioxane, DMSO and DMF by equilibrium dialysis, FT-IR and acoustical study at physiological pH. The binding data obtained was interpreted by scatchard plot, which gives the association constants. An increase in association constants is observed with increase in temperature and concentration. FT-IR study explains the binding through shifting in peak positions of amide I and II. It explained the changes in secondary structure of BSA on binding with the drugs. The free energy (∆G), enthalpy (∆H) and entropy (∆S) values were calculated by using van’t Hoff equation. The negative ∆G showed the spontaneous process and positive values of ∆H and ∆S showed endothermic interaction between ligands and BSA. ∆G becomes more negative with increased in temperature, indicated feasibility of binding interaction at high temperature. The positive values of ∆H and ∆S also showed specific electrostatic and hydrophobic interaction between ligand and BSA.</p><p class="orbitalabstract"> </p><p class="orbitalabstract">DOI: <a href="http://dx.doi.org/10.17807/orbital.v10i2.1116">http://dx.doi.org/10.17807/orbital.v10i2.1116</a></p> |
| first_indexed | 2024-12-13T03:28:06Z |
| format | Article |
| id | doaj.art-d5502ea9032b4a5ab09b5b969f54d19b |
| institution | Directory Open Access Journal |
| issn | 1984-6428 |
| language | English |
| last_indexed | 2024-12-13T03:28:06Z |
| publishDate | 2018-04-01 |
| publisher | Universidade Federal de Mato Grosso do Sul |
| record_format | Article |
| series | Orbital: The Electronic Journal of Chemistry |
| spelling | doaj.art-d5502ea9032b4a5ab09b5b969f54d19b2022-12-22T00:01:14ZengUniversidade Federal de Mato Grosso do SulOrbital: The Electronic Journal of Chemistry1984-64282018-04-0110211312210.17807/orbital.v10i2.1116476Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical StudyAjay Madhukarrao Pisudde0Pradip Vitthalrao Tekade1Shrikant Bandupant Thakare2Department of chemistry, Jankidevi Bajaj college of science, civil line, wardha, MS. India. 442001.Department of chemistry, Jankidevi Bajaj college of science, civil line, wardha, MS. India. 442001.Department of chemistry, Jankidevi Bajaj college of science, civil line, wardha, MS. India. 442001.<p class="orbitalabstract">This paper presented the comparative binding interaction of ethyl-4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (4-HP2OTP) and ethyl-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2-HP2STP) to bovine serum albumin (BSA) in 1,4-dioxane, DMSO and DMF by equilibrium dialysis, FT-IR and acoustical study at physiological pH. The binding data obtained was interpreted by scatchard plot, which gives the association constants. An increase in association constants is observed with increase in temperature and concentration. FT-IR study explains the binding through shifting in peak positions of amide I and II. It explained the changes in secondary structure of BSA on binding with the drugs. The free energy (∆G), enthalpy (∆H) and entropy (∆S) values were calculated by using van’t Hoff equation. The negative ∆G showed the spontaneous process and positive values of ∆H and ∆S showed endothermic interaction between ligands and BSA. ∆G becomes more negative with increased in temperature, indicated feasibility of binding interaction at high temperature. The positive values of ∆H and ∆S also showed specific electrostatic and hydrophobic interaction between ligand and BSA.</p><p class="orbitalabstract"> </p><p class="orbitalabstract">DOI: <a href="http://dx.doi.org/10.17807/orbital.v10i2.1116">http://dx.doi.org/10.17807/orbital.v10i2.1116</a></p>http://orbital.ufms.br/index.php/Chemistry/article/view/1116equilibrium dialysisft-iracoustical studybsascatchard analysisthermodynamic parameters |
| spellingShingle | Ajay Madhukarrao Pisudde Pradip Vitthalrao Tekade Shrikant Bandupant Thakare Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study Orbital: The Electronic Journal of Chemistry equilibrium dialysis ft-ir acoustical study bsa scatchard analysis thermodynamic parameters |
| title | Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study |
| title_full | Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study |
| title_fullStr | Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study |
| title_full_unstemmed | Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study |
| title_short | Comparative Binding Analysis of Pyrimidine Derivative to BSA: Equilibrium, FTIR and Acoustical Study |
| title_sort | comparative binding analysis of pyrimidine derivative to bsa equilibrium ftir and acoustical study |
| topic | equilibrium dialysis ft-ir acoustical study bsa scatchard analysis thermodynamic parameters |
| url | http://orbital.ufms.br/index.php/Chemistry/article/view/1116 |
| work_keys_str_mv | AT ajaymadhukarraopisudde comparativebindinganalysisofpyrimidinederivativetobsaequilibriumftirandacousticalstudy AT pradipvitthalraotekade comparativebindinganalysisofpyrimidinederivativetobsaequilibriumftirandacousticalstudy AT shrikantbandupantthakare comparativebindinganalysisofpyrimidinederivativetobsaequilibriumftirandacousticalstudy |