Cargando…

QM/MM Molecular Dynamics Study of the Galactopyranose → Galactofuranose Reaction Catalysed by Trypanosoma cruzi UDP-Galactopyranose Mutase

The enzyme UDP-Galactopyranose Mutase (UGM) catalyses the conversion of galactopyranose into galactofuranose. It is known to be critical for the survival and proliferation of several pathogenic agents, both prokaryotic and eukaryotic. Among them is Trypanosoma cruzi, the parasite responsible for Cha...

Descripción completa

Detalles Bibliográficos
Autores principales:	Pierdominici-Sottile, Gustavo, Cossio Pérez, Rodrigo, Galindo, Johan F., Palma, Juliana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2014
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4192007/ https://www.ncbi.nlm.nih.gov/pubmed/25299056 http://dx.doi.org/10.1371/journal.pone.0109559

Ejemplares similares

Identification of Aspergillus fumigatus UDP-Galactopyranose Mutase Inhibitors
por: Martin del Campo, Julia S., et al.
Publicado: (2017)

Targeting UDP-Galactopyranose Mutases from Eukaryotic Human Pathogens
por: Kizjakina, Karina, et al.
Publicado: (2013)

Chemical Mechanism of UDP-Galactopyranose Mutase from Trypanosoma cruzi: A Potential Drug Target against Chagas' Disease
por: Oppenheimer, Michelle, et al.
Publicado: (2012)

In Crystallo Capture of a Covalent Intermediate in the UDP-Galactopyranose Mutase Reaction
por: Mehra-Chaudhary, Ritcha, et al.
Publicado: (2016)

Author Correction: Identification of Aspergillus fumigatus UDP-Galactopyranose Mutase Inhibitors
por: Martin del Campo, Julia S., et al.
Publicado: (2018)

Fluorescence Polarization Binding Assay for Aspergillus fumigatus Virulence Factor UDP-Galactopyranose Mutase
por: Qi, Jun, et al.
Publicado: (2011)

Purification, crystallization and preliminary X-ray diffraction data of UDP-galactopyranose mutase from Aspergillus fumigatus
por: Penman, George A., et al.
Publicado: (2012)

Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics
por: Da Fonseca, Isabel, et al.
Publicado: (2014)

Cynaroside inhibits Leishmania donovani UDP-galactopyranose mutase and induces reactive oxygen species to exert antileishmanial response
por: Tabrez, Shams, et al.
Publicado: (2021)

Pyrazole and Triazole Derivatives as Mycobacterium tuberculosis UDP-Galactopyranose Inhibitors
por: Ahmed, Dalia M., et al.
Publicado: (2022)

Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus
por: van Straaten, Karin E., et al.
Publicado: (2012)

UDP-4-Keto-6-Deoxyglucose, a Transient Antifungal Metabolite, Weakens the Fungal Cell Wall Partly by Inhibition of UDP-Galactopyranose Mutase
por: Ma, Liang, et al.
Publicado: (2017)

Aspergillus nidulans Cell Wall Composition and Function Change in Response to Hosting Several Aspergillus fumigatus UDP-Galactopyranose Mutase Activity Mutants
por: Alam, Md Kausar, et al.
Publicado: (2014)

RNA interference mediated knockdown of Brugia malayi UDP-Galactopyranose mutase severely affects parasite viability, embryogenesis and in vivo development of infective larvae
por: Misra, Sweta, et al.
Publicado: (2017)

Aligned TiO(2) Scaffolds in the Presence of a Galactopyranose Matrix by Sol-Gel Process
por: Romero, Humberto Alejandro Monreal, et al.
Publicado: (2023)

Chemical accuracy in QM/MM calculations on enzyme-catalysed reactions
por: Mulholland, Adrian J
Publicado: (2007)

Crystal structure of 1,2,3,4-di-O-methylene-α-d-galactopyranose
por: Tiritiris, Ioannis, et al.
Publicado: (2015)

6-[Bis(ethoxycarbonyl)methyl]-6-deoxy-1,2;3,4-di-O-isopropylidene-d-galactopyranose
por: Doboszewski, Bogdan, et al.
Publicado: (2010)

Molecular characteristics of plant UDP-arabinopyranose mutases
por: Saqib, Anam, et al.
Publicado: (2019)

Identification of the UDP-glucose-4-epimerase required for galactofuranose biosynthesis and galactose metabolism in A. niger
por: Park, Joohae, et al.
Publicado: (2014)

Identification of a Golgi-localized UDP-N-acetylglucosamine transporter in Trypanosoma cruzi
por: Baptista, Carlos Gustavo, et al.
Publicado: (2015)

Identification and functional analysis of two Golgi-localized UDP-galactofuranose transporters with overlapping functions in Aspergillus niger
por: Park, Joohae, et al.
Publicado: (2015)

Unraveling the Differences of the Hydrolytic Activity of Trypanosoma cruzitrans-Sialidase and Trypanosoma rangeli Sialidase: A Quantum Mechanics–Molecular Mechanics Modeling Study
por: Bueren-Calabuig, Juan A., et al.
Publicado: (2014)

Influence of galantamine in the inflammatory process and tissular lesions caused by Trypanosoma cruzi QM2 strain
por: Camargo, Lucas Fadel, et al.
Publicado: (2021)

Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis
por: Pérez-Barcia, Álvaro, et al.
Publicado: (2023)

Exploring the Dependence of QM/MM Calculations of Enzyme Catalysis on the Size of the QM Region
por: Jindal, Garima, et al.
Publicado: (2016)

Galactofuranose-Related Enzymes: Challenges and Hopes
por: Seničar, Mateja, et al.
Publicado: (2020)

Review on the QM/MM Methodologies and Their Application to Metalloproteins
por: Tzeliou, Christina Eleftheria, et al.
Publicado: (2022)

QM Cluster or QM/MM in Computational Enzymology: The Test Case of LigW-Decarboxylase
por: Prejanò, Mario, et al.
Publicado: (2018)

Comparative Computational Approach To Study Enzyme Reactions Using QM and QM-MM Methods
por: Yildiz, Ibrahim, et al.
Publicado: (2018)

How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase
por: Kulik, Heather J., et al.
Publicado: (2016)

QM/MM study of the reaction mechanism of sulfite oxidase
por: Caldararu, Octav, et al.
Publicado: (2018)

On the Difference Between Additive and Subtractive QM/MM Calculations
por: Cao, Lili, et al.
Publicado: (2018)

QM/MM Calculations with deMon2k
por: Salahub, Dennis R., et al.
Publicado: (2015)

Mechanisms of Proteolytic Enzymes and Their Inhibition in QM/MM Studies
por: Elsässer, Brigitta, et al.
Publicado: (2021)

Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations
por: Pan, Xiaoliang, et al.
Publicado: (2018)

QM/MM Molecular Dynamics Studies of Metal Binding Proteins
por: Vidossich, Pietro, et al.
Publicado: (2014)

Projected Hybrid Orbitals: A General QM/MM Method
por: Wang, Yingjie, et al.
Publicado: (2014)

Robotic QM/MM-driven maturation of antibody combining sites
por: Smirnov, Ivan V., et al.
Publicado: (2016)

NAMD goes quantum: An integrative suite for QM/MM simulations
por: Melo, Marcelo C. R., et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_4eovtqcruqjia9s5l4okvmq2d9