Therefore, based on the modeled RSA, it can be compared with the HSA structure deposited in PDB (1AO6) and several similarities can be found between them. However, RSA modeling has been performed and published in a recent article 10. The crystallographic structure of RSA has not yet been determined. RSA has 584 amino acids with just one tryptophan residue 8, which enables the use of fluorescence spectroscopy 9. Nevertheless, no information about the interaction between PPL and rat serum albumin (RSA) is known. A few works present in the literature bring the first results of the interaction of PPL with human albumin 6, 7. Considering the lipophilic characteristics of PPL, its transport through plasma must be assisted by carrier proteins, such as albumin. Published pharmacokinetic studies report that oral, intravenous and intraperitoneal administration in rats results in different times of PPL permanence in plasma 2. In addition, piperlongumine has no Lipinski’s and Lead-like rule violations 5, which makes this molecule an excellent candidate to be launched as a drug. This molecule is characterized by the presence of electrophilic frames 3 and α,β-unsaturated amide as Michael acceptor 4. Piperlongumine (PPL) is a lipophilic molecule, with logP = 1.63 calculated through the software Marvin (ChemAxon, Budapest, Hungary). This natural compound has been calling attention of scientific community because of its biological activities such as antitumor, antimetastatic, antiplatelet aggregation and anxiolytic 2. Piperlongumine, also known as piplartine, is an amide alkaloid isolated from Long pepper 1 that is widely used in Indian traditional medicine. The stability of the RSA-PPL complex was checked by molecular dynamics. The molecular docking described the microenvironment of the interaction sites, rich in apolar residues. Interaction density function method (IDF) indicated that PPL accessed two cooperative sites in RSA, with moderate binding constants (2.3 × 10 5 M −1 and 1.3 × 10 5 M −1). Thermodynamic parameters revealed that PPL binds to RSA spontaneously (ΔG < 0) and the process is entropically driven. This paper shows the importance of applying inner filter correction over the entire fluorescence spectrum prior to any conclusion regarding changes in the polarity of the fluorophore microenvironment, also demonstrates the convergence of the results obtained from the treatment of fluorescence data using the area below the spectrum curve and the intensity in a single wavelength. In this sense, the present study elucidated the mechanism of interaction between PPL and RSA, using in conjunction spectroscopic and computational techniques. Although PPL is present in the bloodstream, no information is found on the interaction between PPL and rat serum albumin (RSA), the most abundant protein with the function of transporting endo/exogenous molecules. In recent pharmacokinetics studies in rats, this molecule reached 76.39% of bioavailability. You can add new items (text labels, lines or arrows, new legend, images) on the plot with the commands of the Graph Menu.Piperlongumine (PPL) has presented a variety of important pharmacological activities. Once the plot is created, you can customize all the graphic items of the plot with the commands of the Format Menu. SciDAVis will create a new graph window, and the plot will be inserted in a new layer. Then you can select the columns and use one command of the Plot menu to plot the data. This can be done with the Assign Formula command. The combined way is to define a table, and then to fill in the table with the results of functions. In this case, plot can be obtained from functions in cartesian coordinates Y(X), but also in parametered coordinates (X(t),Y(t)), or in angular coordinates r(theta). This will open the corresponding dialog box and you will be able to define the mathematical expression of your function. You can use directly the New→New Function Plot command. If you want to plot a function, you don't need a table. This is specified with the Set Column as command. You need to select at least one column as X values and one column as Y values. You can have your (X,Y) values in a table.
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