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. 2020 Aug 25:2020:8363685.
doi: 10.1155/2020/8363685. eCollection 2020.

Biophysical Insight into the Interaction of Human Lysozyme with Anticancer Drug Anastrozole: A Multitechnique Approach

Fahad M Almutairi  1 , Mohammad Rehan Ajmal  1 , Adel Ibrahim Al Alawy  1 , Rizwan Hasan Khan  2 , Ali Saber Abdelhameed  3
Affiliations

Biophysical Insight into the Interaction of Human Lysozyme with Anticancer Drug Anastrozole: A Multitechnique Approach

Fahad M Almutairi et al. ScientificWorldJournal. .

Abstract

In the present study, we employ fluorescence spectroscopy, dynamic light scattering, and molecular docking methods. Binding of anticancer drug anastrozole with human lysozyme (HL) is studied. Binding of anastrozole to HL is moderate but spontaneous. There is anastrozole persuaded hydrodynamic change in HL, leading to molecular compaction. Binding of anastrozole to HL also decreased in vitro lytic activity of HL. Molecular docking results suggest the electrostatic interactions and van der Waals forces played key role in binding interaction of anastrozole near the catalytic site. Binding interaction of anastrozole to proteins other than major transport proteins in blood can significantly affect pharmacokinetics of this molecule. Hence, rationalizing drug dosage is important. This study also points to unrelated effects that small molecules bring in the body that are considerable and need thorough investigation.

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Conflict of interest statement

The authors declare that they have no conflicts of interest.

Figures

Figure 1
Figure 1
Fluorescence quenching of HL induced by anastrozole at 310 K. The concentration of HL was 5 μM and the concentration of anastrozole varied from 0 to 50 μM. The intrinsic fluorescence of the protein was measured in 20 mM sodium phosphate buffer, pH 7.4 at 310 K upon excitation at 280 nm.
Figure 2
Figure 2
Stern–Volmer plots for fluorescence quenching of HL induced by anastrozole at 310 K. The concentration of HL was 5 μM and the concentration of anastrozole varied from 0 to 50 μM. The intrinsic fluorescence of the protein was measured in 20 mM sodium phosphate buffer, pH 7.4 at 310 K upon excitation at 280 nm.
Figure 3
Figure 3
Modified Stern–Volmer plots for fluorescence quenching of HL induced by anastrozole at 310 K. The concentration of HL was 5 μM and the concentration of anastrozole varied from 0 to 50 μM. The intrinsic fluorescence of the protein was measured in 20 mM sodium phosphate buffer, pH 7.4 at 310 K upon excitation at 280 nm.
Figure 4
Figure 4
Molecular docking results of HL molecule with anastrozole. (a) Anastrozole is shown in a stick representation and HL is represented with ribbon model. (b) Detailed view of the docking poses of HL-anastrozole complex. (c) 2D plot of interaction of anastrozole with HL.
Figure 5
Figure 5
Activity results of HL with anastrozole; native HL muramidase activity is taken as 100%, at pH 7.4 and temperature of 298 K.
See this image and copyright information in PMC

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