Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins

CHEN Ran; GUO Dong; HE Rujian; YIN Xia; FAN Jun; ZHANG Weiguang

doi:10.6054/j.jscnun.2022023

Journal of South China Normal University (Natural Science Edition) > 2022 > 54(2): 30-36. > DOI: 10.6054/j.jscnun.2022023

CHEN Ran, GUO Dong, HE Rujian, YIN Xia, FAN Jun, ZHANG Weiguang. Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins[J]. Journal of South China Normal University (Natural Science Edition), 2022, 54(2): 30-36. DOI: 10.6054/j.jscnun.2022023

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Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins

CHEN Ran¹,
GUO Dong^{1, 2},
HE Rujian¹,
YIN Xia¹,
FAN Jun^1, ,,
ZHANG Weiguang^1, ,

1.
School of Chemistry, South China Normal University, Guangzhou 510006, China
2.
Guangzhou Research and Creativity Biotechnology Co., Ltd., Guangzhou 510663, China

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Received Date: April 25, 2021
Available Online: May 11, 2022

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Abstract

Abstract

Interactions of chiral pharmaceuticals and serum albumins show enantioselectivity. Herein, UV-Vis absorption spectroscopy, fluorescent spectroscopy, and molecular docking technology were applied in investigation of enantioselective interactions between diniconazole enantiomers and bovine/human serum albumins (BSA/HSA). The results showed that serum albumins possessed stronger binding affinity for R-diniconazole than S-diniconazole; fluorescent quenching of serum albumins induced by diniconazole enantiomers was ascribed to static quenching mechanism; the docking energies between R-diniconazole and S-diniconazole with HSA were -26.4 kJ/mol and -23.6 kJ/mol, and the docking energies with BSA were -27.6 kJ/mol and -23.3 kJ/mol, respectively, which indicates that binding of serum albumin with R-diniconazole was more stable than that with S-enantiomer. Therefore, this study would provide useful information for the stereoselective mechanism of diniconazole in biological system.
- diniconazole,
- serum albumin,
- molecular docking,
- fluorescence spectroscopy,
- stereoselective interaction mechanism

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References

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