Project information
Multidisciplinární přístup k návrhu léčiv - Inhibice proteinů s návazností na sacharidy (MADICA)

Information

This project doesn't include Faculty of Economics and Administration. It includes Central European Institute of Technology. Official project website can be found on muni.cz.

Project Identification

LH13055

Project Period

3/2013 - 12/2015

Investor / Pogramme / Project type

Ministry of Education, Youth and Sports of the CR

KONTAKT II

MU Faculty or unit

Central European Institute of Technology

prof. RNDr. Michaela Wimmerová, Ph.D.
Mgr. Gita Paulíková, Ph.D.

Existuje několik možných přístupů k drug designu. Velmi častou cílovou látkou jsou enzymy, ale může to být také nukleová kyselina či dokonce ribosom. Mezi nové typy léčiv patří také ta, která jsou založena na napodobení molekul sacharidů. Cílem jsou dvě skupiny proteinů uplatňujících se v infekčních a nádorových onemocněních, a to mono a oligosacharidy rozpoznávající proteiny (lektiny z patogenů) a enzymy oligosacharidy syntetizující (patogenní a lidské glykosytransferasy). Smysl a síla česko-americké spolupráce spočívá v kombinaci komplementární expertízy české strany v oblasti glykobiochemie a výpočetní chemie a americké strany v obecné oblasti návrhu léčiv.

Publications

Total number of publications: 23

2016

The GlcNAc-TV Glycosyltransferase Homology Model Strucutre

JANOŠ Pavel KOZMON Stanislav TVAROŠKA Igor KOČA Jaroslav

Conference abstract

Year: 2016, type: Conference abstract
Three-dimensional homology model of GlcNAc-TV glycosyltransferase

JANOŠ Pavel KOZMON Stanislav TVAROŠKA Igor KOČA Jaroslav

Article in Periodical

Glycobiology, year: 2016, volume: 26, edition: 7, DOI

2015

Exploring Reaction Pathways for O-GlcNAc Transferase Catalysis. A String Method Study

KUMARI Manju KOZMON Stanislav KULHÁNEK Petr ŠTĚPÁN Jakub TVAROŠKA Igor KOČA Jaroslav

Article in Periodical

Journal of Physical Chemistry B, year: 2015, volume: 119, edition: 12, DOI
How Does the Methodology of 3D Structure Preparation Influence the Quality of pK(a) Prediction?

GEIDL Stanislav SVOBODOVÁ VAŘEKOVÁ Radka BENDOVÁ Veronika PETRUSEK Lukáš IONESCU Crina-Maria JURKA Zdeněk ABAGYAN Ruben A. KOČA Jaroslav

Article in Periodical

Journal of Chemical Information and Modeling, year: 2015, volume: 55, edition: 6, DOI
PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank

SEHNAL David PRAVDA Lukáš SVOBODOVÁ VAŘEKOVÁ Radka IONESCU Crina-Maria KOČA Jaroslav

Article in Periodical

Nucleic Acids Research, year: 2015, volume: 43, edition: W1, DOI
Structural insights into Aspergillus fumigatus lectin specificity: AFL binding sites are functionally non-equivalent

HOUSER Josef KOMÁREK Jan CIOCI Gianluca VARROT Annabelle IMBERTY Anne WIMMEROVÁ Michaela

Article in Periodical

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, year: 2015, volume: 71, edition: March, DOI
ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank

SEHNAL David SVOBODOVÁ VAŘEKOVÁ Radka PRAVDA Lukáš IONESCU Crina-Maria GEIDL Stanislav HORSKÝ Vladimír JAISWAL Deepti WIMMEROVÁ Michaela KOČA Jaroslav

Article in Periodical

Nucleic Acids Research, year: 2015, volume: 43, edition: D1, DOI

2014

Ab Initio QM/MM molecular dynamics simulations of glycosyltransferases

JANOŠ Pavel KOZMON Stanislav KOČA Jaroslav

Conference abstract

Year: 2014, type: Conference abstract
Combined QM/MM MERP and PES calculations on retaining glycosyltransferase ppGalNAcT2

TRNKA Tomáš KOZMON Stanislav TVAROŠKA Igor KOČA Jaroslav

Conference abstract

Year: 2014, type: Conference abstract
Differences among binding sites of AAL family lectins - High affinity vs. high specificity of sugar binding

HOUSER Josef KOMÁREK Jan CIOCI Gianluca IMBERTY Anne WIMMEROVÁ Michaela

Conference abstract

Year: 2014, type: Conference abstract