Comparing the interaction of four structurally similar coumarins from Fraxinus Chinensis Roxb. with HSA through multi-spectroscopic and docking studies

Affinity binding of COVID-19 drug candidates (chloroquine/hydroxychloroquine) and serum albumin: Based on photochemistry and molecular docking

“…In general, the dynamic quenching mechanism will not affect the excited state of fluorescent group and has no obvious effect on the absorption spectrum. Conversely, the complex produced by the static quenching will cause significant perturbation of the spectrum of the fluorescent group [ 31 ]. As shown in Fig.…”

“…This phenomenon indicated that both drugs could effectively quench the intrinsic fluorescence of amino acid residues in SA, which was consistent with the previous conclusion. Additionally, Peak 2 of BSA was quenched from 676.3 nm to 481.6 nm and 482.2 nm, respectively, while peak 2 of HSA was quenched from 662.7 nm to 601.0 nm and 443.8 nm by CQ and HCQ, indicating that both drugs had effected on the protein skeleton of SA [ 47 ].…”

The pharmacological and pharmacokinetic properties of esculin: A comprehensive review

“…Xu et al used molecular docking simulation to explore the interaction of esculin and human serum albumin. The result showed that residues Trp 214, Ile 290, Arg 257, and Ser 287 of human serum albumin bound to esculin through hydrogen bonds, and residues Arg 222, Arg 218, Ala 291, Phe 211, Lys 199, Leu 238, His 242, Leu 260 and Tyr 150 bound to esculin through hydrophobic force (Xu et al, 2021, 2021). Wang et al explored esculin's metabolic profile in rats.…”

“…Due to the outstanding pharmacological activity of coumarin, researchers pay more and more attention to the pharmacological effect of esculin (Kostova et al, 2011). Information on esculin was collected from the internet database PubMed, Elsevier, Web of Science, Wiley Online Library, and Europe PMC using a combination of keywords including “pharmacology”, and “pharmacokinetics.” Studies have shown that the anti‐inflammatory and anti‐oxidative stress effects of esculin are prominent (Sampath Kumar et al, 2021; Xu et al, 2021, 2021; Zhang et al, 2017). This indicates that esculin is promising to be used in the treatment of a variety of diseases closely related to inflammation and oxidative stress (Lee et al, 2007; Liu, Zhang, Joo, & Sun, 2017).…”

Using Human Serum Albumin Binding Affinities as a Proactive Strategy to Affect the Pharmacodynamics and Pharmacokinetics of Preclinical Drug Candidates

“…The scaffold itself is often not responsible for contributing to target binding efficacy. As such, we report on the binding interactions of the HSA of prototypical scaffolds of coumarin, , diphenyl ether, , and flavone , that are substituted with common functional groups . From this, we can establish structure–activity relationship (SAR) trends for use in drug discovery projects where an increase or decrease in binding to HSA is needed.…”