Martin Lepšík

Affiliations

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague, Czech Republic.

Publications (23)

Targeting the insulin receptor with hormone and peptide dimers.

Journal of peptide science : an official publication of the European Peptide Society

Avec: Jingjing Lin , Irena Selicharová , Katarína Mitrová , Benjamin Fabre , Vijay Madhav Miriyala , Jiří Jiráček , María Soledad Garre Hernández

Powerful Avidity with a Limited Valency for Virus-Attachment Blockers on DC-SIGN: Combining Chelation and Statistical Rebinding with Structural Plasticity of the Receptor.

ACS central science

Avec: Vanessa Porkolab , Stefania Ordanini , Alexander St John , Aline Le Roy , Michel Thépaut , Emanuele Paci , Christine Ebel , Anna Bernardi , Franck Fieschi

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes.

Nature communications

Avec: Adam Pecina , Jindřich Fanfrlík , Jan Řezáč

Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses.

The Journal of biological chemistry

Avec: Kateřina Macháčková , Květoslava Mlčochová , Pavlo Potalitsyn , Kateřina Hanková , Ondřej Socha , Miloš Buděšínský , Anja Muždalo , Michaela Černeková , Jelena Radosavljević , Milan Fábry , Katarína Mitrová , Martina Chrudinová , Jingjing Lin , Yevgen Yurenko , Pavel Hobza , Irena Selicharová , Lenka Žáková , Jiří Jiráček

Capturing a dynamically interacting inhibitor by paramagnetic NMR spectroscopy.

Physical chemistry chemical physics : PCCP

Avec: Pavel Srb , Michal Svoboda , Ladislav Benda , Ján Tarábek , Václav Šícha , Bohumír Grüner , Klára Grantz-Šašková , Jiří Brynda , Pavlína Řezáčová , Jan Konvalinka , Václav Veverka

Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.

Journal of medicinal chemistry

Avec: Radka Houštecká , Martin Hadzima , Jindřich Fanfrlík , Jiří Brynda , Lenka Pallová , Iva Hánová , Helena Mertlíková-Kaiserová , Martin Horn , Martin Smrčina , Pavel Majer , Michael Mareš

Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods.

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Jindřich Fanfrlík , Adam Pecina , Jan Řezáč , Menyhárt B Sárosi , Drahomír Hnyk , Pavel Hobza

SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design.

ChemPlusChem

Avec: Adam Pecina , Saltuk M Eyrilmez , Cemal Köprülüoğlu , Vijay Madhav Miriyala , Jindřich Fanfrlík , Jan Řezáč , Pavel Hobza

Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.

Journal of enzyme inhibition and medicinal chemistry

Avec: Jakub Benýšek , Michal Buša , Petra Rubešová , Jindřich Fanfrlík , Jiří Brynda , Zuzana Matoušková , Ulrike Bartz , Martin Horn , Michael Gütschow , Michael Mareš

Engineering the Ligand Specificity of the Human Galectin-1 by Incorporation of Tryptophan Analogues.

Chembiochem : a European journal of chemical biology

Avec: Felix Tobola , Syeda Rehana Zia , Hakon Leffler , Ulf J Nilsson , Ola Blixt , Anne Imberty , Birgit Wiltschi

3

Journal of medicinal chemistry

Avec: Neetu Dayal , Eva Řezníčková , Delmis E Hernandez , Miroslav Peřina , Sandra Torregrosa-Allen , Bennett D Elzey , Jana Škerlová , Haresh Ajani , Stefan Djukic , Veronika Vojáčková , Pavlína Řezáčová , Vladimír Kryštof , Radek Jorda , Herman O Sintim

SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design.

ChemPlusChem

Avec: Adam Pecina , Saltuk M Eyrilmez , Cemal Köprülüoğlu , Vijay Madhav Miriyala , Jindřich Fanfrlík , Jan Řezáč , Pavel Hobza

B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.

Physical chemistry chemical physics : PCCP

Avec: Jindřich Fanfrlík , Jiří Brynda , Michael Kugler , Klára Pospíšilová , Josef Holub , Drahomír Hnyk , Jan Nekvinda , Bohumír Grüner , Pavlína Řezáčová

Helquat dyes targeting G-quadruplexes as a new class of anti-HIV-1 inhibitors.

Scientific reports

Avec: Marcela Pávová , Paul Eduardo Reyes-Gutiérrez , Jaroslav Kozák , Juraj Dobiaš , Yevgen Yurenko , Filip Teplý , Jan Weber

Real-time Imaging of Nascent DNA in Live Cells by Monitoring the Fluorescence Lifetime of DNA-Incorporated Thiazole Orange-Modified Nucleotides.

Angewandte Chemie (International ed. in English)

Avec: Miroslav Kuba , Petro Khoroshyy , Erika Kužmová , David Kodr , Tomáš Kraus , Michal Hocek

Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to

ACS infectious diseases

Avec: Adéla Jílková , Martin Horn , Jindřich Fanfrlík , Jim Küppers , Petr Pachl , Pavlína Řezáčová , Pavla Fajtová , Petra Rubešová , Marta Chanová , Conor R Caffrey , Michael Gütschow , Michael Mareš

Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from

Journal of enzyme inhibition and medicinal chemistry

Avec: Jiří Dostál , Jiří Brynda , Lucie Vaňková , Syeda Rehana Zia , Iva Pichová , Olga Heidingsfeld ,

Multipodal insulin mimetics built on adamantane or proline scaffolds.

Bioorganic chemistry

Avec: Jan Hajduch , Benjamin Fabre , Benjamin Klopp , Radek Pohl , Miloš Buděšínský , Veronika Šolínová , Václav Kašička , Cemal Köprülüoglu , Saltuk Mustafa Eyrilmez , Pavel Hobza , Katarína Mitrová , Marta Lubos , María Soledad Garre Hernández , Jiří Jiráček

Optimization of norbornyl-based carbocyclic nucleoside analogs as cyclin-dependent kinase 2 inhibitors.

Journal of molecular recognition : JMR

Avec: Cemal Köprülüoğlu , Milan Dejmek , Michal Šála , Haresh Ajani , Hubert Hřebabecký , Jindřich Fanfrlík , Radek Jorda , Martin Dračínský , Eliška Procházková , Pavel Šácha , Vladimír Kryštof , Pavel Hobza , Radim Nencka

Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.

ACS infectious diseases

Avec: Adéla Jílková , Petra Rubešová , Jindřich Fanfrlík , Pavla Fajtová , Pavlína Řezáčová , Jiří Brynda , Helena Mertlíková-Kaiserová , Cory D Emal , Adam R Renslo , William R Roush , Martin Horn , Conor R Caffrey , Michael Mareš

In Vitro Evolution Reveals Noncationic Protein-RNA Interaction Mediated by Metal Ions.

Molecular biology and evolution

Avec: Valerio G Giacobelli , Kosuke Fujishima , Vyacheslav Tretyachenko , Tereza Kadavá , Mikhail Makarov , Lucie Bednárová , Petr Novák , Klára Hlouchová

Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.

Journal of virology

Avec: Arun Dhillon , B David Persson , Alexander N Volkov , Hagen Sülzen , Alan Kádek , Petr Pompach , Sami Kereïche , Katarina Danskog , Charlotte Uetrecht , Niklas Arnberg , Sebastian Zoll

Extensive targeting of chemical space at the prime side of ketoamide inhibitors of rhomboid proteases by branched substituents empowers their selectivity and potency.

European journal of medicinal chemistry

Avec: Kathrin Bach , Jan Dohnálek , Jana Škerlová , Ján Kuzmík , Edita Poláchová , Stancho Stanchev , Pavel Majer , Jindřich Fanfrlík , Adam Pecina , Jan Řezáč , Valentin Borshchevskiy , Vitaly Polovinkin , Kvido Strisovsky

Réseau de co-auteurs

Jindřich Fanfrlík 11 collaborations

Pavel Hobza 6 collaborations

Jiří Brynda 6 collaborations

Adam Pecina 5 collaborations

Jan Řezáč 5 collaborations

Pavlína Řezáčová 5 collaborations

Martin Horn 4 collaborations

Michael Mareš 4 collaborations

Katarína Mitrová 3 collaborations

Vijay Madhav Miriyala 3 collaborations

Jiří Jiráček 3 collaborations

Cemal Köprülüoğlu 3 collaborations

Petra Rubešová 3 collaborations

Jingjing Lin 2 collaborations

Irena Selicharová 2 collaborations

Benjamin Fabre 2 collaborations

María Soledad Garre Hernández 2 collaborations

Miloš Buděšínský 2 collaborations

Yevgen Yurenko 2 collaborations

Bohumír Grüner 2 collaborations

Helena Mertlíková-Kaiserová 2 collaborations

Pavel Majer 2 collaborations

Drahomír Hnyk 2 collaborations

Saltuk M Eyrilmez 2 collaborations

Michael Gütschow 2 collaborations

Syeda Rehana Zia 2 collaborations

Jana Škerlová 2 collaborations

Haresh Ajani 2 collaborations

Vladimír Kryštof 2 collaborations

Radek Jorda 2 collaborations

Adéla Jílková 2 collaborations

Pavla Fajtová 2 collaborations

Conor R Caffrey 2 collaborations

Vanessa Porkolab 1 collaboration

Stefania Ordanini 1 collaboration

Alexander St John 1 collaboration

Aline Le Roy 1 collaboration

Michel Thépaut 1 collaboration

Emanuele Paci 1 collaboration

Christine Ebel 1 collaboration

Anna Bernardi 1 collaboration

Franck Fieschi 1 collaboration

Kateřina Macháčková 1 collaboration

Květoslava Mlčochová 1 collaboration

Pavlo Potalitsyn 1 collaboration

Kateřina Hanková 1 collaboration

Ondřej Socha 1 collaboration

Anja Muždalo 1 collaboration

Michaela Černeková 1 collaboration

Jelena Radosavljević 1 collaboration

Milan Fábry 1 collaboration

Martina Chrudinová 1 collaboration

Lenka Žáková 1 collaboration

Pavel Srb 1 collaboration

Michal Svoboda 1 collaboration

Ladislav Benda 1 collaboration

Ján Tarábek 1 collaboration

Václav Šícha 1 collaboration

Klára Grantz-Šašková 1 collaboration

Jan Konvalinka 1 collaboration

Václav Veverka 1 collaboration

Radka Houštecká 1 collaboration

Martin Hadzima 1 collaboration

Lenka Pallová 1 collaboration

Iva Hánová 1 collaboration

Martin Smrčina 1 collaboration

Menyhárt B Sárosi 1 collaboration

Jakub Benýšek 1 collaboration

Michal Buša 1 collaboration

Zuzana Matoušková 1 collaboration

Ulrike Bartz 1 collaboration

Felix Tobola 1 collaboration

Hakon Leffler 1 collaboration

Ulf J Nilsson 1 collaboration

Ola Blixt 1 collaboration

Anne Imberty 1 collaboration

Birgit Wiltschi 1 collaboration

Neetu Dayal 1 collaboration

Eva Řezníčková 1 collaboration

Delmis E Hernandez 1 collaboration

Miroslav Peřina 1 collaboration

Sandra Torregrosa-Allen 1 collaboration

Bennett D Elzey 1 collaboration

Stefan Djukic 1 collaboration

Veronika Vojáčková 1 collaboration

Herman O Sintim 1 collaboration

Michael Kugler 1 collaboration

Klára Pospíšilová 1 collaboration

Josef Holub 1 collaboration

Jan Nekvinda 1 collaboration

Marcela Pávová 1 collaboration

Paul Eduardo Reyes-Gutiérrez 1 collaboration

Jaroslav Kozák 1 collaboration

Juraj Dobiaš 1 collaboration

Filip Teplý 1 collaboration

Jan Weber 1 collaboration

Miroslav Kuba 1 collaboration

Petro Khoroshyy 1 collaboration

Erika Kužmová 1 collaboration

David Kodr 1 collaboration

Tomáš Kraus 1 collaboration

Michal Hocek 1 collaboration

Jim Küppers 1 collaboration

Petr Pachl 1 collaboration

Marta Chanová 1 collaboration

Jiří Dostál 1 collaboration

Lucie Vaňková 1 collaboration

Iva Pichová 1 collaboration

Olga Heidingsfeld 1 collaboration

Jan Hajduch 1 collaboration

Benjamin Klopp 1 collaboration

Radek Pohl 1 collaboration

Veronika Šolínová 1 collaboration

Václav Kašička 1 collaboration

Cemal Köprülüoglu 1 collaboration

Saltuk Mustafa Eyrilmez 1 collaboration

Marta Lubos 1 collaboration

Milan Dejmek 1 collaboration

Michal Šála 1 collaboration

Hubert Hřebabecký 1 collaboration

Martin Dračínský 1 collaboration

Eliška Procházková 1 collaboration

Pavel Šácha 1 collaboration

Radim Nencka 1 collaboration

Cory D Emal 1 collaboration

Adam R Renslo 1 collaboration

William R Roush 1 collaboration

Valerio G Giacobelli 1 collaboration

Kosuke Fujishima 1 collaboration

Vyacheslav Tretyachenko 1 collaboration

Tereza Kadavá 1 collaboration

Mikhail Makarov 1 collaboration

Lucie Bednárová 1 collaboration

Petr Novák 1 collaboration

Klára Hlouchová 1 collaboration

Arun Dhillon 1 collaboration

B David Persson 1 collaboration

Alexander N Volkov 1 collaboration

Hagen Sülzen 1 collaboration

Alan Kádek 1 collaboration

Petr Pompach 1 collaboration

Sami Kereïche 1 collaboration

Katarina Danskog 1 collaboration

Charlotte Uetrecht 1 collaboration

Niklas Arnberg 1 collaboration

Sebastian Zoll 1 collaboration

Kathrin Bach 1 collaboration

Jan Dohnálek 1 collaboration

Ján Kuzmík 1 collaboration

Edita Poláchová 1 collaboration

Stancho Stanchev 1 collaboration

Valentin Borshchevskiy 1 collaboration

Vitaly Polovinkin 1 collaboration

Kvido Strisovsky 1 collaboration