Výsledky vyhledávání - "Alexey Aleksandrov"

Akademický článek

Cyclization Reaction Catalyzed by Cyclodipeptide Synthases Relies on a Conserved Tyrosine Residue

Autor: Emmanuelle Schmitt, Gabrielle Bourgeois, Muriel Gondry, Alexey Aleksandrov

Publikováno v: Scientific Reports, Vol 8, Iss 1, Pp 1-11 (2018)

Abstract Cyclodipeptide synthases (CDPSs) form various cyclodipeptides from two aminoacyl tRNAs via a stepwise mechanism with the formation of a dipeptidyl enzyme intermediate. As a final step of the catalytic reaction, the dipeptidyl group undergoes

Externí odkaz: https://doaj.org/article/67204e16422a4345b9f2793575e3a217

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Parametrization of Force Field Bonded Terms under Structural Inconsistency

Autor: Anastasia CROITORU, Alexey Aleksandrov

Publikováno v: Journal of Chemical Information and Modeling. 62:4771-4782

Parametrization of the bonded part of molecular mechanics (MM) force fields (FFs) is typically done by fitting reference quantum mechanical (QM) energies or forces of representative structures. FFs for small molecules are constructed in incremental p

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b3f1f684df988caf36c201c406764ca
https://doi.org/10.1021/acs.jcim.2c00950

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Autocatalytic effect boosts the production of medium-chain hydrocarbons by fatty acid photodecarboxylase

Autor: Poutoum P. Samire, Bo Zhuang, Bertrand Légeret, Ángel Baca-Porcel, Gilles Peltier, Damien Sorigué, Alexey Aleksandrov, Frédéric Beisson, Pavel Müller

Publikováno v: Science Advances
Science Advances, 2023, 9 (13), ⟨10.1126/sciadv.adg3881⟩

Ongoing climate change is driving the search for renewable and carbon-neutral alternatives to fossil fuels. Photocatalytic conversion of fatty acids to hydrocarbons by fatty acid photodecarboxylase (FAP) represents a promising route to green fuels. H

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b29a8609ecbdf34597c9d47e9ca5a7f7
https://hal.science/hal-04055084/document

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Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP+ Oxidoreductase

Autor: Alexey Aleksandrov, Marten H. Vos, Bo Zhuang, Daisuke Seo

Publikováno v: Journal of the American Chemical Society
Journal of the American Chemical Society, 2021, 143 (7), pp.2757-2768. ⟨10.1021/jacs.0c09627⟩
Journal of the American Chemical Society, American Chemical Society, 2021, 143 (7), pp.2757-2768. ⟨10.1021/jacs.0c09627⟩

International audience; Radicals of flavin adenine dinucleotide (FAD), as well as tyrosine and tryptophan, are widely involved as key reactive intermediates during electron transfer (ET) reactions in flavoproteins. Due to the high reactivity of these

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0ed53977b655eec640e0489eab0f694
https://doi.org/10.1021/jacs.0c09627

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Mechanism of Naphthoquinone Selectivity of Thymidylate Synthase ThyX

Autor: Alexey Aleksandrov, Hubert F. Becker, Hannu Myllykallio

Publikováno v: Biophysical Journal
Biophysical Journal, 2020, 119 (12), pp.2508-2516. ⟨10.1016/j.bpj.2020.10.042⟩
Biophysical Journal, Biophysical Society, 2020, 119 (12), pp.2508-2516. ⟨10.1016/j.bpj.2020.10.042⟩
Biophys J

International audience; Naphthoquinones (NQs) are natural and synthetic compounds with a wide range of biological activities commonly attributed to their redox activity and/or chemical reactivity. However, genetic and biochemical experiments have rec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2cd4c1437a8a54a1a79426d48097645
https://doi.org/10.1016/j.bpj.2020.10.042

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Ultrafast photooxidation of protein-bound anionic flavin radicals

Autor: Bo Zhuang, Rivo Ramodiharilafy, Ursula Liebl, Alexey Aleksandrov, Marten H. Vos

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, 2022, 119 (8), pp.e2118924119. ⟨10.1073/pnas.2118924119⟩

International audience; The photophysical properties of anionic semireduced flavin radicals are largely unknown despite their importance in numerous biochemical reactions. Here, we studied the photoproducts of these intrinsically unstable species in

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::722c9ab1405ae3366737e4fc17f066ec
https://doi.org/10.1073/pnas.2118924119

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Additive CHARMM36 Force Field for Nonstandard Amino Acids

Autor: Anastasia Croitoru, Wonpil Im, Alexey Aleksandrov, Jumin Lee, Anmol Kumar, Alexander D. MacKerell, Sang-Jun Park

Publikováno v: J Chem Theory Comput
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (6), pp.3554-3570. ⟨10.1021/acs.jctc.1c00254⟩

Nonstandard amino acids are both abundant in nature, where they play a key role in various cellular processes, and can be synthesized in laboratories, for example, for the manufacture of a range of pharmaceutical agents. In this work, we have extende

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::005b45e3997c7f9e81d9e34a21bd3b17
https://pubmed.ncbi.nlm.nih.gov/34009984

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Mechanism and dynamics of fatty acid photodecarboxylase

Publikováno v: Science
Science, 2021, 372 (6538), pp.eabd5687. ⟨10.1126/science.abd5687⟩
Science, American Association for the Advancement of Science, 2021, 372 (6538), pp.eabd5687. ⟨10.1126/science.abd5687⟩

Light makes light work of fatty acids Photosynthetic organisms are notable for their ability to capture light energy and use it to power biosynthesis. Some algae have gone a step beyond photosynthesis and can use light to initiate enzymatic photodeca

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4db91c545d5063ad4f853fa0cb049b5
https://hal.science/hal-03208662/document

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Photochemical processes in flavo-enzymes as a probe for active site dynamics: TrmFO of Thermus thermophilus

Autor: Pierre Sournia, Bo Zhuang, Rivo Ramodiharilafy, Marten H. Vos, Anastasia Croitoru, Ursula Liebl, Hannu Myllykallio, Alexey Aleksandrov, Lipsa Nag, Jean-Christophe Lambry

Publikováno v: Photochemical & Photobiological Sciences
Photochemical & Photobiological Sciences, 2021, 20 (5), pp.663-670. ⟨10.1007/s43630-021-00052-8⟩
Photochemical & Photobiological Sciences, Royal Society of Chemistry, 2021, 20 (5), pp.663-670. ⟨10.1007/s43630-021-00052-8⟩

International audience; Quenching of flavin fluorescence by electron transfer from neighboring aromatic residues is ubiquitous in flavoproteins. Apart from constituting a functional process in specific light-active systems, time-resolved spectral cha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d61395b4b65c1c206a3392fa37ea488
https://pubmed.ncbi.nlm.nih.gov/33977512

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Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP

Autor: Bo, Zhuang, Daisuke, Seo, Alexey, Aleksandrov, Marten H, Vos

Publikováno v: Journal of the American Chemical Society. 143(7)

Radicals of flavin adenine dinucleotide (FAD), as well as tyrosine and tryptophan, are widely involved as key reactive intermediates during electron-transfer (ET) reactions in flavoproteins. Due to the high reactivity of these species and their corre

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::ce9c8a64a76acef49e66bfa1521417cc
https://pubmed.ncbi.nlm.nih.gov/33591179

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