02416nas a2200229   4500008004100000022001400041245011700055210006900172260000800241300001100249490000800260520165100268653001701919653002401936653001301960653001901973100001701992700001402009700001502023700001702038856013102055       2019                        eng d  a0039-128X00aSteroidal thiazolidinone derivatives: design, synthesis and their molecular interaction with human serum albumin0 aSteroidal thiazolidinone derivatives design synthesis and their   cAUG  a99-1130 v1483 a<p>A series of steroidal thiazolidinone derivatives have been synthesized through one-pot multicomponent reaction involving steroidal ketone, thiosemicarbazide/methyl-thiosemicarbazide and DMAD in presence of AlCl3 as a Lewis acid catalyst. Among all the synthesized steroidal thiazolidinone derivatives, compound 7-9 (ST 7-9) were investigated for their in vitro molecular interaction with human serum albumin. Intrinsic fluorescence spectroscopy, constant wavelength synchronous fluorescence spectroscopy, circular dichroism and UV-visible absorption techniques have been exploited to characterize the binding phenomena in phosphate buffer solution at pH 7.4. The experimental results indicated that ST 7-9 bind to HSA and the intrinsic fluorescence of HSA was quenched through static quenching mechanism. The binding parameters were calculated and the binding constants obtained were 1.44 x 10(5) M-1 for ST 7, 0.84 x 10(5) M-1 for ST 8 and 1.06 x 10(5) M-1 for ST 9. Circular dichroism analysis confirms that the presence of ST 7-9, altered the secondary structure of HSA due to partial unfolding of the polypeptide chain. Furthermore, hemolytic activity assay demonstrated that the synthesized steroidal thiazolidinone derivatives have good compatibility towards human red blood cells. Finally, molecular docking studies revealed that the steroidal thiazolidinones can bind in the hydrophobic cavity of HSA, by hydrophobic and hydrogen bonding interaction. These results provided valuable information about the binding mechanism of ST 7-9 with HSA and play a pivotal role in the development of steroidal heterocycle inspired compounds.</p>
10aheterocycles10aHuman serum albumin10asteroids10aThiazolidinone1 aAnsari, Anam1 aAli, Abad1 aAsif, Mohd1 aShamsuzzaman  uhttps://library.ncl.res.in/content/steroidal-thiazolidinone-derivatives-design-synthesis-and-their-molecular-interaction-human