Publications
Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3σ.
Kuusk A, Neves JF, Bravo-Rodriguez K, Gunnarsson A, Ruiz-Blanco YB, Ehrmann M, Chen H, Landrieu I, Sanchez-Garcia E, Boyd H, Ottmann C, Doveston RG; ACS Chem. Biol. (2020) 15, 1, 262-271; DOI: 10.1021/acschembio.9b00893
Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First
Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal
Activity.
Dawidowski M, Kalel VC, Napolitano V, Fino R, Schorpp K, Emmanouilidis L, Lenhart D, Ostertag M, Kaiser M, Kolonko M, Tippler B, Schliebs W, Dubin G, Mäser P, Tetko IV, Hadian K, Plettenburg O, Erdmann R, Sattler M, Popowicz GM; J Med Chem. 2020 Jan 6; DOI:10.1021/acs.jmedchem.9b01876
Fragments as Novel Starting Points for tRNA‐Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Hassaan E, Eriksson P-O, Geschwindner S, Heine A, Klebe G; ChemMedChem 2019. DOI:10.1002/cmdc.201900604
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery.
Yang X, Wang Y, Byrne R, Schneider G, Yang S; Chem. Rev. 2019, 119, 18, 10520-10594; DOI:10.1021/acs.chemrev.8b00728
Glutarimide Alkaloids Through Multicomponent Reaction Chemistry.
Konstantinidou M, Kurpiewska K, Kalinowska‐Tłuscik J, Dömling A; EurJOC, Vol. 2018 (47); Jul 19, 2019. DOI: 10.1002/ejoc.201801276E
In Silico Target Prediction for Small Molecules.
Byrne R, Schneider G; Methods. Mol Biol. 2019;1888:273-309; DOI:10.1007/978-1-4939-8891-4_16
Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3σ.
Kuusk A, Neves JF, Bravo Rodriguez K, Gunnarsson A, Ruiz-Blanco YB, Ehrmann M, Chen H, Landrieu I, Sanchez-Garcia E, Boyd H, Ottmann C, Doveston RG; ACS Chem. Biol. 2019 Nov 19; DOI:10.1021/acschembio.9b00893
Oligomeric Protein Interference Validates Druggability of Aspartate Interconversion in Plasmodium Falciparum.
Batista FA, Bosch SS, Butzloff S, Lunev S, Meissner KA, Linzke M, Romero AR, Wang C, Müller IB, Dömling ASS et al.; Microbiology Open 2019, e779; DOI:10.1002/mbo3.779
The (R)-Enantiomer of the 6-Chromanol Derivate SUL-121 Improves Renal Graft Perfusion via Antagonism of the Α1-Adrenoceptor.
Nakladal D, Buikema H, Romero AR, Lambooy SPH, Bouma J, Krenning G, Vogelaar P, van der Graaf AC, Groves MR, Kyselovic J et al.; Sci. Rep. 2019, 9 (1), 13; DOI:10.1038/s41598-018-36788-0
Production of “Biobetter” Variants of Glucarpidase with Enhanced Enzyme Activity.
Al-Qahtani AD, Bashraheel SS, Rashidi FB, O’Connor CD, Romero AR, Domling A, Goda SK; Biomed. Pharmacother. 2019, 112, 108725; DOI:10.1016/j.biopha.2019.108725
Rapid Approach to Complex Boronic Acids.
Neochoritis CG, Shaabani S, Ahmadianmoghaddam M, Zarganes-Tzitzikas T, Gao L, Novotná M, Mitríková T, Romero AR, Irianti MI, Xu R et al.; Sci. Adv. 2019, 5 (7), eaaw4607; DOI:10.1126/sciadv.aaw4607
Sequential multicomponent synthesis of 2-(imidazo[1,5-α]pyridin-1-yl)-1,3,4-oxadiazoles.
Kurhade S, Konstantinidou M, Sutanto F, Kurpiewska K, Kalinowska –Tłuścik J, Dömling A; Europ. J. Org. Chem. 2019, 10, 2029-2034; DOI: 10.1002/ejoc.201801880
Pd-Catalyzed de novo assembly of diversely substituted indole-fused polyheterocycles.
Wang Q, Osipyan A, Konstantinidou M, Butera R, Mgimpatsang KC, Shishkina SV, Dömling A; J.Org. Chem. 2019; DOI: 10.1021/acs.joc.9b01258
Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin. Jumde VR, Mondal M, Gierse RM, Unver MY, Magari F, van Lier RCW, Heine A, Klebe G, Hirsch AKH; ChemMedChem 2018, 13, 2266 – 2270. DOI:10.1002/cmdc.201800446
1,3,4-Oxadiazoles by Ugi-tetrazole and Huisgen reactions.
Wang Q, Mgimpatsang KC, Konstantinidou M, Shishkina SV, Dömling A; Org. Lett. 2019; DOI:10.1021/acs.orglett.9b02614
PROTAC – a game changing technology.
Konstantinidou M, Li J, Zhang B, Wang Z, Shaabani S, ter Brake F, Essa K, Dömling A; Expert Opinion Drug Discov. 2019; DOI:10.1080/17460441.2019.1659242
The hitchhiker’s guide to the chemical-biological galaxy.
Opassi G, Gesù A and Massarotti A; Drug Discov. today, 2018, Vol. 23, Issue 3, 565-574; DOI:10.1016/j.drudis.2018.01.007
ß‐Carbolinone Analogues from the Ugi Silver Mine.
Doemling A, Madhavachary R, Naveen N, Wang Y, Wang Q and Konstantinidou M; EurJoc, 17 April 2018: DOI: 10.1002/ejoc.201800557
Oligomeric interfaces as a tool in drug discovery: Specific interference with activity of malate dehydrogenase of Plasmodium falciparum in vitro.
Lunev S, Butzloff S, Romero AR, Linzke M, Batista FA, Meissner KA, Müller IB, Adawy A, C Wrenger C and Groves M; PLoS One. 2018; 13(4): e0195011. DOI: 10.1371/journal.pone.0195011
Detecting ligand interactions in real time on living bacterial cells.
Encarnação JC, Schulte T, Achour A, Björkelund H and Andersson K; Applied Microbiology and Biotechnology, 2018, published online Mar 17, 2018; DOI: 10.1007/s00253-018-8919-3
Immune Checkpoint PD‐1/PD‐L1: Is There Life Beyond Antibodies?
Konstantinidou M, Zarganes-Tzitzika T, Magiera-Mularz K, Holak TA and
Dömling A, Angew. Chem., 2018, Vol. 57, Issue 18, 4840-4848.
DOI: 10.1002/anie.201710407
Impact of assay temperature on antibody binding characteristics in living cells: A case study.
Encarnação JC, Barta P, Fornstedt T and Andersson K; Biomedical Reports, 2017, published online Sep 14, 2017; DOI: 10.3892/br.2017.982
Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Dawidowski M, Emmanouilidis L, Kalel VC, Tripsianes K, Schorpp KK, Hadian K, Kolonko M, Erdmann R, Sattler M and Popowicz GM; Science, 2017, 355, 1416-1420. DOI: 10.1126/science.aal1807
Small-molecule stabilization of the p53 – 14-3-3 protein-protein interaction.
Doveston RG, Kuusk A, Andrei SA, Leysen S, Cao Q, Castaldi MP, Hendricks A, Brunsveld L, Chen H, Boyd H and Ottmann C; FEBS Letters, 2017 Aug; 591 (16):2449-57. DOI: 10.1002/187
Synthesis and Enantiomeric Separation of a Novel Spiroketal Derivative:
A Potent Human Telomerase Inhibitor with High in Vitro Anticancer Activity.
Fuggetta MF, De Mico A, Cottarelli A, Morelli F, Zonfrillo M, Ulgheri F, Peluso P, Mannu A, Deligia F, Marchetti M, Roviello G, Romero AR, Domling A, Pietro Spanu; J. Med. Chem., 2016, 59 (19), pp 9140–9149. DOI: 10.1021/acs.jmedchem.6b01046
Impact of assay temperature on antibody binding characteristics in living cells: A case study.
Encarnação JC, Barta P, Fornstedt T and Andersson K; Biomedical Reports, 2017, published online Sep 14, 2017; DOI: 10.3892/br.2017.982
Inhibitors of programmed cell death 1 (PD-1): a patent review (2010-2015)
Zarganes-Tzitzikas T, Konstantinidou M, Gao Y, Krzemien D, Zak K, Dubin G, Holak TA, Dömling A, Expert Opin Ther Pat; 2016 Sep; 26 (9):973-7. doi: 10.1080/13543776.2016.1206527