Spectroscopic studies of interactions of 2-(2-Oxo-2-Phenylethyl)-1, 2-benzisothiazol-3(2H)-one-1, 1-dioxide with human DNA

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00508971" target="_blank" >RIV/61388955:_____/19:00508971 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/11104/0299795" target="_blank" >http://hdl.handle.net/11104/0299795</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2019.06.079" target="_blank" >10.1016/j.molstruc.2019.06.079</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Spectroscopic studies of interactions of 2-(2-Oxo-2-Phenylethyl)-1, 2-benzisothiazol-3(2H)-one-1, 1-dioxide with human DNA

Popis výsledku v původním jazyce

The interaction of small molecules with DNA has become the most prominent area of research for the discovery of new drugs that may be helpful in curing of the diseases. The present research work was designed to explore the interactions of 2-(2-Oxo-2-Phenylethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (BTZDO) with DNA by spectroscopic methods in physiological buffers of pH 4.7 and 7.4. Spectral results showed the hypochromic and bathochromic shifts after addition of DNA. The binding constant (Kf) of 5.18 × 102 and 8.62 × 102 Lmol−1 were determined at pH 4.7 (stomach pH) and 7.4 (blood pH) respectively. Strong values of binding constants reflected strong complex between BTZDO and DNA. The observed values of binding constant suggested that the intake of BTZDO inside human body via blood is more effective as compared to the oral intake. The interpretation of physical mode to intake the newly synthesized BTZDO drug into human body is the novelty of this research work. An intercalation binding of the BTZDO with DNA was supported by the results obtained from DNA melting studies. The Gibbs free energy calculated at pH 4.7 was −15.22 kJmol-1 and at pH 7.4 was −16.46 kJmol-1. The negative values of free energies are the prerequisite that the binding process to be spontaneous. Thermodynamic parameters (enthalpy and entropy) were also calculated. The enthalpy calculated for this system was −29.23 kJmol−1K−1 at pH 4.7 and −52.56 kJmol−1K−1 at pH 7.4. The entropy calculated for present system at pH 4.7 was −48.22 Jmol−1K−1 and at 7.4 the value was −122.89 Jmol−1K−1. Negative values of entropy predicted that a compact complex was formed between BTZDO and DNA. The focal point of this investigation was the observation of the effect of temperature on binding between the BTZDO and DNA, nature of complex formed and especially, the preferred mode adopted for the intake of medicine.

Název v anglickém jazyce

Spectroscopic studies of interactions of 2-(2-Oxo-2-Phenylethyl)-1, 2-benzisothiazol-3(2H)-one-1, 1-dioxide with human DNA

Popis výsledku anglicky

The interaction of small molecules with DNA has become the most prominent area of research for the discovery of new drugs that may be helpful in curing of the diseases. The present research work was designed to explore the interactions of 2-(2-Oxo-2-Phenylethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (BTZDO) with DNA by spectroscopic methods in physiological buffers of pH 4.7 and 7.4. Spectral results showed the hypochromic and bathochromic shifts after addition of DNA. The binding constant (Kf) of 5.18 × 102 and 8.62 × 102 Lmol−1 were determined at pH 4.7 (stomach pH) and 7.4 (blood pH) respectively. Strong values of binding constants reflected strong complex between BTZDO and DNA. The observed values of binding constant suggested that the intake of BTZDO inside human body via blood is more effective as compared to the oral intake. The interpretation of physical mode to intake the newly synthesized BTZDO drug into human body is the novelty of this research work. An intercalation binding of the BTZDO with DNA was supported by the results obtained from DNA melting studies. The Gibbs free energy calculated at pH 4.7 was −15.22 kJmol-1 and at pH 7.4 was −16.46 kJmol-1. The negative values of free energies are the prerequisite that the binding process to be spontaneous. Thermodynamic parameters (enthalpy and entropy) were also calculated. The enthalpy calculated for this system was −29.23 kJmol−1K−1 at pH 4.7 and −52.56 kJmol−1K−1 at pH 7.4. The entropy calculated for present system at pH 4.7 was −48.22 Jmol−1K−1 and at 7.4 the value was −122.89 Jmol−1K−1. Negative values of entropy predicted that a compact complex was formed between BTZDO and DNA. The focal point of this investigation was the observation of the effect of temperature on binding between the BTZDO and DNA, nature of complex formed and especially, the preferred mode adopted for the intake of medicine.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

—

Svazek periodika

1196

Číslo periodika v rámci svazku

NOV 2019

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

403-408

Kód UT WoS článku

000487930600039

EID výsledku v databázi Scopus

2-s2.0-85068194423