Probing the Molecular Basis of Aminoacyl‐Adenylate Affinity With Mycobacterium tuberculosis Leucyl‐tRNA Synthetase Employing Molecular Dynamics, Umbrella Sampling Simulations and Site‐Directed Mutagenesis.

Autor: Volynets, Galyna P.^1,2 (AUTHOR) g.p.volynets@gmail.com, Gudzera, Olga I.³ (AUTHOR), Usenko, Mariia O.⁴ (AUTHOR), Gorbatiuk, Oksana B.⁴ (AUTHOR), Bdzhola, Volodymyr G.¹ (AUTHOR), Kotey, Igor M.¹ (AUTHOR), Balanda, Anatoliy O.¹ (AUTHOR), Prykhod'ko, Andrii O.^1,2 (AUTHOR), Lukashov, Sergiy S.¹ (AUTHOR), Chuk, Oleksiy A.⁵ (AUTHOR), Skydanovych, Oleksandra I.³ (AUTHOR), Yaremchuk, Ganna D.³ (AUTHOR), Yarmoluk, Sergiy M.¹ (AUTHOR), Tukalo, Michael A.³ (AUTHOR)

Publikováno v: Journal of Molecular Recognition. Oct2024, p1. 12p. 5 Illustrations.

Probing interactions of aminoacyl-adenylate with Mycobacterium tuberculosis methionyl-tRNA synthetase through in silico site-directed mutagenesis and free energy calculation.

Autor: Volynets, Galyna P., Gudzera, Olga I., Usenko, Mariia O., Gorbatiuk, Oksana B., Yarmoluk, Sergiy M., Tukalo, Michael A.

Publikováno v: Journal of Biomolecular Structure & Dynamics; Aug/Sep2023, Vol. 41 Issue 13, p6450-6458, 9p

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Identification of Mycobacterium tuberculosis leucyl-tRNA synthetase (LeuRS) inhibitors among the derivatives of 5-phenylamino-2H-[1,2,4]triazin-3-one.

Autor: Gudzera, Olga I.¹ (AUTHOR), Golub, Andriy G.² (AUTHOR), Bdzhola, Volodymyr G.¹ (AUTHOR), Volynets, Galyna P.¹ (AUTHOR), Kovalenko, Oksana P.¹ (AUTHOR), Boyarshin, Konstantin S.¹ (AUTHOR), Yaremchuk, Anna D.¹ (AUTHOR), Protopopov, Mykola V.¹ (AUTHOR), Yarmoluk, Sergiy M.¹ (AUTHOR) sergiy@yarmoluk.org.ua, Tukalo, Michail A.¹ (AUTHOR)

Publikováno v: Journal of Enzyme Inhibition & Medicinal Chemistry. 2016 Supplement, Vol. 31, p201-207. 7p.