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Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi

, 
Aleksandr Vladimirovich Veselovsky 2
Aleksandr Vladimirovich Veselovsky
, 
Elena Vadimovna Kudryashova 1
Elena Vadimovna Kudryashova
2 V. N. Orekhovich Institute of Biomedical Chemistry, 119121 Moscow, Russian Federation
10.71267/mencom.7590
Published 2025-02-18
Communication , Volume 35, Issue 2, 133-135
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Shegolev V. O., Veselovsky A. V., Kudryashova E. V. Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi // Mendeleev Communications. 2025. Vol. 35. No. 2. pp. 133-135.
GOST all authors (up to 50) Copy
Shegolev V. O., Veselovsky A. V., Kudryashova E. V. Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi // Mendeleev Communications. 2025. Vol. 35. No. 2. pp. 133-135.
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TY - JOUR
DO - 10.71267/mencom.7590
UR - https://mendcomm.colab.ws/publications/10.71267/mencom.7590
TI - Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi
T2 - Mendeleev Communications
AU - Shegolev, Vsevolod Olegovich
AU - Veselovsky, Aleksandr Vladimirovich
AU - Kudryashova, Elena Vadimovna
PY - 2025
DA - 2025/02/18
PB - Mendeleev Communications
SP - 133-135
IS - 2
VL - 35
ER -
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@article{2025_Shegolev,
author = {Vsevolod Olegovich Shegolev and Aleksandr Vladimirovich Veselovsky and Elena Vadimovna Kudryashova},
title = {Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi},
journal = {Mendeleev Communications},
year = {2025},
volume = {35},
publisher = {Mendeleev Communications},
month = {Feb},
url = {https://mendcomm.colab.ws/publications/10.71267/mencom.7590},
number = {2},
pages = {133--135},
doi = {10.71267/mencom.7590}
}
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Shegolev, Vsevolod Olegovich, et al. “Structural modeling of L-galactonolactone dehydrogenase from Trypanosoma cruzi.” Mendeleev Communications, vol. 35, no. 2, Feb. 2025, pp. 133-135. https://mendcomm.colab.ws/publications/10.71267/mencom.7590.

Keywords

AlphaFold
Chagas disease
docking.
flavin adenine dinucleotide
molecular dynamics
Trypanosoma cruzi

Abstract

A structural model of the Trypanosoma cruzi l-galactonolactone dehydrogenase enzyme, a potential drug target for Chagas disease, is presented. Constructed using a hybrid approach, the model was validated via molecular dynamics, ensemble docking and experimental data (circular dichroism and IC50 values) with good agreement. The model holds promise for virtual screening of new inhibitors.

Funders

Intellect

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