<i>In silico</i> evaluation of new affine interactions of methylcoumarin with cytochromes P450-Reference-Cited by-同舟云学术

<i>In silico</i> evaluation of new affine interactions of methylcoumarin with cytochromes P450

Published:2022-06-08 Issue:2 Volume:58 Page:186-190
ISSN:2524-2342
Container-title:Proceedings of the National Academy of Sciences of Belarus, Chemical Series
language:
Short-container-title:Vescì Akademìì navuk Belarusì. Seryâ himičnyh navuk

Author:

Faletrov Y. V.¹,Maliugin V. O.²,Frolova N. S.³,Shkumatov V. M.¹

Affiliation:

1. Belarusian State University; Research Institute for Physical Chemical Problems of the Belarusian State University

2. Belarusian State University

3. Research Institute for Physical Chemical Problems of the Belarusian State University

Abstract

4-methyl-7-methoxycoumarin (CumOMe) has been synthesized and in silico calculations demonstrated localization of methoxy group within 0.4 nm from Fe ion of hem groups for some structures of human CYP19 & CYP46 as well as CYP152 S. paucimobilis, CYP158 St. coelicolor, HMUO C. diphtheriae, XPLA R. rhodochrous, CYP199A4 Rh. palustris, CYP101A1 Ps. putida and CYP51 M. tuberculosis.

Publisher

Publishing House Belorusskaya Nauka

Subject

Inorganic Chemistry,Organic Chemistry,Chemistry (miscellaneous),Analytical Chemistry

Reference12 articles.

1. Raunio H., Pentikainen O., Juvonen R. O. Coumarin-Based Profluorescent and Fluorescent Substrates for Determining Xenobiotic-Metabolizing Enzyme Activities in vitro. International Journal of Molecular Sciences, 2020, vol. 21, no. 13, pp. 4708. https://doi.org/10.3390/ijms21134708

2. Usanov S. A., Honkakoski P., Lang M., Hanninen O. Interaction of coumarin-hydroxylating cytochrome P-450coh from liver microsomes of mice induced by pyrazole with cytochrome B5. Biokhimia, 1990, vol. 55, pp. 995-1007.

3. Juvonen R. O., Shkumatov V. M., Lang M. A. Purification and characterization of a liver microsomal cytochrome P-450 isoenzyme with a high affinity and metabolic capacity for coumarin from pyrazole-treated D2 mice. European Journal of Biochemistry, 1988, vol. 171, no. 1-2, pp. 205-211. https://doi.org/10.1111/j.1432-1033.1988.tb13777.x

4. Juvonen R. O., Ahinko M., Huuskonen J., Raunio H., Pentikainen O. T. Development of new Coumarin-based profluo-rescent substrates for human cytochrome P450 enzymes. Xenobiotica, 2019, vol. 49, no. 9, pp. 1015-1024. https://doi.org/10.1080/00498254.2018.1530399

5. Juvonen R. O., Ahinko M., Huuskonen J., Raunio H., Pentikainen O. T. Substrate Selectivity of Coumarin Derivatives by Human CYP1 Enzymes: In Vitro Enzyme Kinetics and In Silico Modeling. ACS Omega, 2021, vol. 6, no. 17, pp. 1128611296. https://doi.org/10.1021/acsomega.1c00123