TY - JOUR
T1 - Influence of HSA on micellization of NLSS and BC
T2 - An experimental-theoretical approach of its binding characteristics
AU - Fatma, Ishrat
AU - Sharma, Vivek
AU - Ahmad Malik, Nisar
AU - Assad, Humira
AU - Cantero-López, Plinio
AU - Sánchez, Julio
AU - López-Rendón, Roberto
AU - Yañez, Osvaldo
AU - Chand Thakur, Ramesh
AU - Kumar, Ashish
N1 - Publisher Copyright:
© 2022 Elsevier B.V.
PY - 2022/12/1
Y1 - 2022/12/1
N2 - Blood albumins play a very significant role in several biological operations and act as carriers for the transportation and circulation of various endogenous as well as exogenous materials. Experimental as well as computational studies have been carried out in understanding the major binding properties of the system. This investigation explains the interactions of Human serum albumin (HSA) with N-Lauroyl sarcosine sodium salt (NLSS) and benzethonium chloride (BC), which has been explored by means of conductometric, spectroscopic as well as computational studies. Phenomenon of micellization is hindered in several concentrations of protein (HSA) as well as by temperature. Binding ability of HSA with NLSS and BC has been obtained through UV–visible and fluorescence studies. Computational study revealed the presence of seven binding pockets in HSA, out of which the most stable binding pockets for NLSS and BC includes pocket1 and pocket2.
AB - Blood albumins play a very significant role in several biological operations and act as carriers for the transportation and circulation of various endogenous as well as exogenous materials. Experimental as well as computational studies have been carried out in understanding the major binding properties of the system. This investigation explains the interactions of Human serum albumin (HSA) with N-Lauroyl sarcosine sodium salt (NLSS) and benzethonium chloride (BC), which has been explored by means of conductometric, spectroscopic as well as computational studies. Phenomenon of micellization is hindered in several concentrations of protein (HSA) as well as by temperature. Binding ability of HSA with NLSS and BC has been obtained through UV–visible and fluorescence studies. Computational study revealed the presence of seven binding pockets in HSA, out of which the most stable binding pockets for NLSS and BC includes pocket1 and pocket2.
KW - Benzethonium chloride
KW - Critical micelle concentration
KW - Human serum albumin
KW - Molecular docking simulations
KW - N-Lauroyl sarcosine sodium salt
UR - http://www.scopus.com/inward/record.url?scp=85139595129&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2022.120532
DO - 10.1016/j.molliq.2022.120532
M3 - Article
AN - SCOPUS:85139595129
SN - 0167-7322
VL - 367
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
M1 - 120532
ER -