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Items: 21

1.

Rational modulator design by exploitation of protein-protein complex structures.

Wichapong K, Poelman H, Ercig B, Hrdinova J, Liu X, Lutgens E, Nicolaes GA.

Future Med Chem. 2019 May;11(9):1015-1033. doi: 10.4155/fmc-2018-0433. Epub 2019 May 29.

PMID:
31141413
2.

Externalized histone H4 orchestrates chronic inflammation by inducing lytic cell death.

Silvestre-Roig C, Braster Q, Wichapong K, Lee EY, Teulon JM, Berrebeh N, Winter J, Adrover JM, Santos GS, Froese A, Lemnitzer P, Ortega-Gómez A, Chevre R, Marschner J, Schumski A, Winter C, Perez-Olivares L, Pan C, Paulin N, Schoufour T, Hartwig H, González-Ramos S, Kamp F, Megens RTA, Mowen KA, Gunzer M, Maegdefessel L, Hackeng T, Lutgens E, Daemen M, von Blume J, Anders HJ, Nikolaev VO, Pellequer JL, Weber C, Hidalgo A, Nicolaes GAF, Wong GCL, Soehnlein O.

Nature. 2019 May;569(7755):236-240. doi: 10.1038/s41586-019-1167-6. Epub 2019 May 1.

PMID:
31043745
3.

Adhesion/growth-regulatory galectins tested in combination: evidence for formation of hybrids as heterodimers.

Miller MC, Ludwig AK, Wichapong K, Kaltner H, Kopitz J, Gabius HJ, Mayo KH.

Biochem J. 2018 Mar 15;475(5):1003-1018. doi: 10.1042/BCJ20170658.

PMID:
29321242
4.

Insights into 3D Structure of ADAMTS13: A Stepping Stone towards Novel Therapeutic Treatment of Thrombotic Thrombocytopenic Purpura.

Ercig B, Wichapong K, Reutelingsperger CPM, Vanhoorelbeke K, Voorberg J, Nicolaes GAF.

Thromb Haemost. 2018 Jan;118(1):28-41. doi: 10.1160/TH17-06-0404. Epub 2018 Jan 5.

PMID:
29304523
5.

Chemokine interactome mapping enables tailored intervention in acute and chronic inflammation.

von Hundelshausen P, Agten SM, Eckardt V, Blanchet X, Schmitt MM, Ippel H, Neideck C, Bidzhekov K, Leberzammer J, Wichapong K, Faussner A, Drechsler M, Grommes J, van Geffen JP, Li H, Ortega-Gomez A, Megens RT, Naumann R, Dijkgraaf I, Nicolaes GA, Döring Y, Soehnlein O, Lutgens E, Heemskerk JW, Koenen RR, Mayo KH, Hackeng TM, Weber C.

Sci Transl Med. 2017 Apr 5;9(384). pii: eaah6650. doi: 10.1126/scitranslmed.aah6650.

PMID:
28381538
6.

Structure-Based Design of Peptidic Inhibitors of the Interaction between CC Chemokine Ligand 5 (CCL5) and Human Neutrophil Peptides 1 (HNP1).

Wichapong K, Alard JE, Ortega-Gomez A, Weber C, Hackeng TM, Soehnlein O, Nicolaes GA.

J Med Chem. 2016 May 12;59(9):4289-301. doi: 10.1021/acs.jmedchem.5b01952. Epub 2016 Feb 23.

PMID:
26871718
7.

Recruitment of classical monocytes can be inhibited by disturbing heteromers of neutrophil HNP1 and platelet CCL5.

Alard JE, Ortega-Gomez A, Wichapong K, Bongiovanni D, Horckmans M, Megens RT, Leoni G, Ferraro B, Rossaint J, Paulin N, Ng J, Ippel H, Suylen D, Hinkel R, Blanchet X, Gaillard F, D'Amico M, von Hundelshausen P, Zarbock A, Scheiermann C, Hackeng TM, Steffens S, Kupatt C, Nicolaes GA, Weber C, Soehnlein O.

Sci Transl Med. 2015 Dec 9;7(317):317ra196. doi: 10.1126/scitranslmed.aad5330.

PMID:
26659570
8.

Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics Study.

Yotmanee P, Rungrotmongkol T, Wichapong K, Choi SB, Wahab HA, Kungwan N, Hannongbua S.

J Mol Graph Model. 2015 Jul;60:24-33. doi: 10.1016/j.jmgm.2015.05.008. Epub 2015 May 22.

PMID:
26086900
9.

Molecular simulation studies of human coagulation factor VIII C domain-mediated membrane binding.

Du J, Wichapong K, Hackeng KM, Nicolaes GA.

Thromb Haemost. 2015 Feb;113(2):373-84. doi: 10.1160/TH14-02-0180. Epub 2014 Oct 30.

PMID:
25354705
10.

Application of docking and QM/MM-GBSA rescoring to screen for novel Myt1 kinase inhibitors.

Wichapong K, Rohe A, Platzer C, Slynko I, Erdmann F, Schmidt M, Sippl W.

J Chem Inf Model. 2014 Mar 24;54(3):881-93. doi: 10.1021/ci4007326. Epub 2014 Feb 13.

PMID:
24490903
11.

Synthesis, biological evaluation and molecular docking studies of benzyloxyacetohydroxamic acids as LpxC inhibitors.

Szermerski M, Melesina J, Wichapong K, Löppenberg M, Jose J, Sippl W, Holl R.

Bioorg Med Chem. 2014 Feb 1;22(3):1016-28. doi: 10.1016/j.bmc.2013.12.057. Epub 2014 Jan 3.

PMID:
24412340
12.

Binding of pyrazole-based inhibitors to Mycobacterium tuberculosis pantothenate synthetase: docking and MM-GB(PB)SA analysis.

Ntie-Kang F, Kannan S, Wichapong K, Owono Owono LC, Sippl W, Megnassan E.

Mol Biosyst. 2014 Feb;10(2):223-39. doi: 10.1039/c3mb70449a.

PMID:
24240974
13.
14.

Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.

Du J, Bleylevens IW, Bitorina AV, Wichapong K, Nicolaes GA.

Chem Biol Drug Des. 2014 Jan;83(1):37-51. doi: 10.1111/cbdd.12202. Epub 2013 Oct 4.

PMID:
23941463
15.

In vitro cross-linking of elastin peptides and molecular characterization of the resultant biomaterials.

Heinz A, Ruttkies CK, Jahreis G, Schräder CU, Wichapong K, Sippl W, Keeley FW, Neubert RH, Schmelzer CE.

Biochim Biophys Acta. 2013 Apr;1830(4):2994-3004. doi: 10.1016/j.bbagen.2013.01.014. Epub 2013 Jan 30.

PMID:
23375722
16.

Evaluation of potential Myt1 kinase inhibitors by TR-FRET based binding assay.

Rohe A, Göllner C, Wichapong K, Erdmann F, Al-Mazaideh GM, Sippl W, Schmidt M.

Eur J Med Chem. 2013 Mar;61:41-8. doi: 10.1016/j.ejmech.2012.06.007. Epub 2012 Jun 12.

PMID:
22770610
17.

In vitro and in silico studies on substrate recognition and acceptance of human PKMYT1, a Cdk1 inhibitory kinase.

Rohe A, Erdmann F, Bäßler C, Wichapong K, Sippl W, Schmidt M.

Bioorg Med Chem Lett. 2012 Jan 15;22(2):1219-23. doi: 10.1016/j.bmcl.2011.11.064. Epub 2011 Nov 23.

PMID:
22189141
18.

Discovery of 4-benzylamino-substituted α-carbolines as a novel class of receptor tyrosine kinase inhibitors.

Krug M, Wichapong K, Erlenkamp G, Sippl W, Schächtele C, Totzke F, Hilgeroth A.

ChemMedChem. 2011 Jan 3;6(1):63-72. doi: 10.1002/cmdc.201000384.

PMID:
21140395
19.

Postprocessing of protein-ligand docking poses using linear response MM-PB/SA: application to Wee1 kinase inhibitors.

Wichapong K, Lawson M, Pianwanit S, Kokpol S, Sippl W.

J Chem Inf Model. 2010 Sep 27;50(9):1574-88. doi: 10.1021/ci1002153.

PMID:
20712342
20.

Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction.

Wichapong K, Pianwanit S, Sippl W, Kokpol S.

J Mol Recognit. 2010 May-Jun;23(3):283-300. doi: 10.1002/jmr.977.

PMID:
19693793
21.

Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.

Wichapong K, Lindner M, Pianwanit S, Kokpol S, Sippl W.

Eur J Med Chem. 2009 Apr;44(4):1383-95. doi: 10.1016/j.ejmech.2008.09.027. Epub 2008 Sep 30.

PMID:
18976834

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