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Items: 1 to 50 of 103

1.

A novel pathogenic missense variant in CNNM4 underlying Jalili syndrome: Insights from molecular dynamics simulations.

Parveen A, Mirza MU, Vanmeert M, Akhtar J, Bashir H, Khan S, Shehzad S, Froeyen M, Ahmed W, Ansar M, Wasif N.

Mol Genet Genomic Med. 2019 Sep;7(9):e902. doi: 10.1002/mgg3.902. Epub 2019 Jul 25.

2.

Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins.

Vanmeert M, Razzokov J, Mirza MU, Weeks SD, Schepers G, Bogaerts A, Rozenski J, Froeyen M, Herdewijn P, Pinheiro VB, Lescrinier E.

Nucleic Acids Res. 2019 Jul 26;47(13):7130-7142. doi: 10.1093/nar/gkz551.

3.

Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L.

Saleem F, Mehmood R, Mehar S, Khan MTJ, Khan ZU, Ashraf M, Ali MS, Abdullah I, Froeyen M, Mirza MU, Ahmad S.

Antioxidants (Basel). 2019 Jul 19;8(7). pii: E231. doi: 10.3390/antiox8070231.

4.

Invading Escherichia coli Genetics with a Xenobiotic Nucleic Acid Carrying an Acyclic Phosphonate Backbone (ZNA).

Luo M, Groaz E, Froeyen M, Pezo V, Jaziri F, Leonczak P, Schepers G, Rozenski J, Marlière P, Herdewijn P.

J Am Chem Soc. 2019 Jul 10;141(27):10844-10851. doi: 10.1021/jacs.9b04714. Epub 2019 Jun 28.

PMID:
31251601
5.

Quantification of Berberine in Berberis vulgaris L. Root Extract and Its Curative and Prophylactic Role in Cisplatin-Induced In Vivo Toxicity and In Vitro Cytotoxicity.

Ahmad S, Hussain A, Hussain A, Abdullah I, Ali MS, Froeyen M, Mirza MU.

Antioxidants (Basel). 2019 Jun 19;8(6). pii: E185. doi: 10.3390/antiox8060185.

6.

Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.

Verdonck S, Pu SY, Sorrell FJ, Elkins JM, Froeyen M, Gao LJ, Prugar LI, Dorosky DE, Brannan JM, Barouch-Bentov R, Knapp S, Dye JM, Herdewijn P, Einav S, De Jonghe S.

J Med Chem. 2019 Jun 27;62(12):5810-5831. doi: 10.1021/acs.jmedchem.9b00136. Epub 2019 Jun 12.

PMID:
31136173
7.

In silico structural elucidation of RNA-dependent RNA polymerase towards the identification of potential Crimean-Congo Hemorrhagic Fever Virus inhibitors.

Mirza MU, Vanmeert M, Froeyen M, Ali A, Rafique S, Idrees M.

Sci Rep. 2019 May 2;9(1):6809. doi: 10.1038/s41598-019-43129-2.

8.

Mutagenesis of DsbAss is Crucial for the Signal Recognition Particle Mechanism in Escherichia coli: Insights from Molecular Dynamics Simulations.

Durrani FG, Gul R, Mirza MU, Kaderbhai NN, Froeyen M, Saleem M.

Biomolecules. 2019 Apr 3;9(4). pii: E133. doi: 10.3390/biom9040133.

9.

Inhibition of Oncogenic Kinases: An In Vitro Validated Computational Approach Identified Potential Multi-Target Anticancer Compounds.

Ikram N, Mirza MU, Vanmeert M, Froeyen M, Salo-Ahen OMH, Tahir M, Qazi A, Ahmad S.

Biomolecules. 2019 Mar 28;9(4). pii: E124. doi: 10.3390/biom9040124.

10.

In vitro evaluation of arylsubstituted imidazoles derivatives as antiprotozoal agents and docking studies on sterol 14α-demethylase (CYP51) from Trypanosoma cruzi, Leishmania infantum, and Trypanosoma brucei.

Rojas Vargas JA, López AG, Pérez Y, Cos P, Froeyen M.

Parasitol Res. 2019 May;118(5):1533-1548. doi: 10.1007/s00436-019-06206-z. Epub 2019 Mar 23.

PMID:
30903349
11.

Cyclin G-associated kinase (GAK) affinity and antiviral activity studies of a series of 3-C-substituted isothiazolo[4,3-b]pyridines.

Wouters R, Pu SY, Froeyen M, Lescrinier E, Einav S, Herdewijn P, De Jonghe S.

Eur J Med Chem. 2019 Feb 1;163:256-265. doi: 10.1016/j.ejmech.2018.11.065. Epub 2018 Nov 28.

PMID:
30529544
12.

Perspectives towards antiviral drug discovery against Ebola virus.

Mirza MU, Vanmeert M, Ali A, Iman K, Froeyen M, Idrees M.

J Med Virol. 2018 Nov 15. doi: 10.1002/jmv.25357. [Epub ahead of print] Review.

PMID:
30431654
13.

Chimeric XNA: An Unconventional Design for Orthogonal Informational Systems.

Efthymiou T, Gavette J, Stoop M, De Riccardis F, Froeyen M, Herdewijn P, Krishnamurthy R.

Chemistry. 2018 Sep 3;24(49):12811-12819. doi: 10.1002/chem.201802287. Epub 2018 Aug 10.

PMID:
29901248
14.

Methylated Nucleobases: Synthesis and Evaluation for Base Pairing In Vitro and In Vivo.

Jabgunde AM, Jaziri F, Bande O, Froeyen M, Abramov M, Nguyen H, Schepers G, Lescrinier E, Pinheiro VB, Pezo V, Marlière P, Herdewijn P.

Chemistry. 2018 Aug 27;24(48):12695-12707. doi: 10.1002/chem.201802304. Epub 2018 Jul 23.

PMID:
29883012
15.

Family-wide analysis of aminoacyl-sulfamoyl-3-deazaadenosine analogues as inhibitors of aminoacyl-tRNA synthetases.

Zhang B, De Graef S, Nautiyal M, Pang L, Gadakh B, Froeyen M, Van Mellaert L, Strelkov SV, Weeks SD, Van Aerschot A.

Eur J Med Chem. 2018 Mar 25;148:384-396. doi: 10.1016/j.ejmech.2018.02.013. Epub 2018 Feb 14.

PMID:
29477072
16.

New class of early-stage enterovirus inhibitors with a novel mechanism of action.

Ma Y, Abdelnabi R, Delang L, Froeyen M, Luyten W, Neyts J, Mirabelli C.

Antiviral Res. 2017 Nov;147:67-74. doi: 10.1016/j.antiviral.2017.10.004. Epub 2017 Oct 7.

PMID:
28993161
17.

Corrigenda to "Elaboration of a proprietary thymidylate kinase inhibitor motif towards anti-tuberculosis agents" [Bioorg Med Chem 24 (2016) 5172-5182].

Song L, Risseeuw MDP, Froeyen M, Karalic I, Goeman J, Cappoen D, Van der Eycken J, Cos P, Munier-Lehmann H, Van Calenbergh S.

Bioorg Med Chem. 2017 Oct 15;25(20):5889. doi: 10.1016/j.bmc.2017.08.023. Epub 2017 Aug 18. No abstract available.

PMID:
28826595
18.

Molecular Dynamics of Double Stranded Xylo-Nucleic Acid.

Ramaswamy A, Smyrnova D, Froeyen M, Maiti M, Herdewijn P, Ceulemans A.

J Chem Theory Comput. 2017 Oct 10;13(10):5028-5038. doi: 10.1021/acs.jctc.7b00309. Epub 2017 Sep 5.

PMID:
28742346
19.

Galactosylsphingamides: new α-GalCer analogues to probe the F'-pocket of CD1d.

Guillaume J, Wang J, Janssens J, Remesh SG, Risseeuw MDP, Decruy T, Froeyen M, Elewaut D, Zajonc DM, Calenbergh SV.

Sci Rep. 2017 Jun 27;7(1):4276. doi: 10.1038/s41598-017-04461-7.

20.

Understanding the Mechanism of the Broad-Spectrum Antiviral Activity of Favipiravir (T-705): Key Role of the F1 Motif of the Viral Polymerase.

Abdelnabi R, Morais ATS, Leyssen P, Imbert I, Beaucourt S, Blanc H, Froeyen M, Vignuzzi M, Canard B, Neyts J, Delang L.

J Virol. 2017 May 26;91(12). pii: e00487-17. doi: 10.1128/JVI.00487-17. Print 2017 Jun 15.

21.

Aminopurine and aminoquinazoline scaffolds for development of potential dengue virus inhibitors.

Venkatesham A, Saudi M, Kaptein S, Neyts J, Rozenski J, Froeyen M, Van Aerschot A.

Eur J Med Chem. 2017 Jan 27;126:101-109. doi: 10.1016/j.ejmech.2016.10.008. Epub 2016 Oct 5.

PMID:
27750144
22.

Elaboration of a proprietary thymidylate kinase inhibitor motif towards anti-tuberculosis agents.

Song L, Risseeuw MDP, Froeyen M, Karalic I, Goeman J, Cappoen D, Van der Eycken J, Cos P, Munier-Lehmann H, Van Calenbergh S.

Bioorg Med Chem. 2016 Nov 1;24(21):5172-5182. doi: 10.1016/j.bmc.2016.08.041. Epub 2016 Aug 24. Erratum in: Bioorg Med Chem. 2017 Oct 15;25(20):5889.

23.

3-(imidazo[1,2-a:5,4-b']dipyridin-2-yl)aniline inhibits pestivirus replication by targeting a hot spot drug binding pocket in the RNA-dependent RNA polymerase.

Musiu S, Leyssen P, Froeyen M, Chezal JM, Neyts J, Paeshuyse J.

Antiviral Res. 2016 May;129:99-103. doi: 10.1016/j.antiviral.2016.03.007. Epub 2016 Mar 9.

PMID:
26970496
24.

Molecular simulation of cyclohexanyl nucleic acid (CNA) duplexes with CNA, DNA and RNA and CNA triloop and tetraloop hairpin structures.

Froeyen M, Abu el Asrar R, Abramov M, Herdewijn P.

Bioorg Med Chem. 2016 Apr 15;24(8):1778-85. doi: 10.1016/j.bmc.2016.03.007. Epub 2016 Mar 3.

PMID:
26968651
25.

Antiviral Activity of Broad-Spectrum and Enterovirus-Specific Inhibitors against Clinical Isolates of Enterovirus D68.

Sun L, Meijer A, Froeyen M, Zhang L, Thibaut HJ, Baggen J, George S, Vernachio J, van Kuppeveld FJ, Leyssen P, Hilgenfeld R, Neyts J, Delang L.

Antimicrob Agents Chemother. 2015 Dec;59(12):7782-5. doi: 10.1128/AAC.01375-15. Epub 2015 Sep 14.

26.

NMR study on the interaction of the conserved CREX 'stem-loop' in the Hepatitis E virus genome with a naphthyridine-based ligand.

Dyubankova N, Froeyen M, Abramov M, Mattelaer HP, Herdewijn P, Lescrinier E.

Org Biomol Chem. 2015 Oct 7;13(37):9665-72. doi: 10.1039/c5ob01381j.

PMID:
26264660
27.

Achiral, acyclic nucleic acids: synthesis and biophysical studies of a possible prebiotic polymer.

Srivastava P, Abou El Asrar R, Knies C, Abramov M, Froeyen M, Rozenski J, Rosemeyer H, Herdewijn P.

Org Biomol Chem. 2015 Sep 21;13(35):9249-60. doi: 10.1039/c5ob00898k. Epub 2015 Jul 31.

PMID:
26228702
28.

1',5'-Anhydro-L-ribo-hexitol Adenine Nucleic Acids (α-L-HNA-A): Synthesis and Chiral Selection Properties in the Mirror Image World.

D'Alonzo D, Froeyen M, Schepers G, Di Fabio G, Van Aerschot A, Herdewijn P, Palumbo G, Guaragna A.

J Org Chem. 2015 May 15;80(10):5014-22. doi: 10.1021/acs.joc.5b00406. Epub 2015 Apr 30.

PMID:
25853790
29.

Hybridisation potential of 1',3'-Di-O-methylaltropyranoside nucleic acids.

Venkatesham A, Kachare D, Schepers G, Rozenski J, Froeyen M, Van Aerschot A.

Molecules. 2015 Mar 3;20(3):4020-41. doi: 10.3390/molecules20034020.

30.

5'-(N-aminoacyl)-sulfonamido-5'-deoxyadenosine: attempts for a stable alternative for aminoacyl-sulfamoyl adenosines as aaRS inhibitors.

Gadakh B, Smaers S, Rozenski J, Froeyen M, Van Aerschot A.

Eur J Med Chem. 2015 Mar 26;93:227-36. doi: 10.1016/j.ejmech.2015.02.010. Epub 2015 Feb 9.

PMID:
25686591
31.

Circular trimers of gelatinase B/matrix metalloproteinase-9 constitute a distinct population of functional enzyme molecules differentially regulated by tissue inhibitor of metalloproteinases-1.

Vandooren J, Born B, Solomonov I, Zajac E, Saldova R, Senske M, Ugarte-Berzal E, Martens E, Van den Steen PE, Van Damme J, Garcia-Pardo A, Froeyen M, Deryugina EI, Quigley JP, Moestrup SK, Rudd PM, Sagi I, Opdenakker G.

Biochem J. 2015 Jan 15;465(2):259-70. doi: 10.1042/BJ20140418.

32.

The capsid binder Vapendavir and the novel protease inhibitor SG85 inhibit enterovirus 71 replication.

Tijsma A, Franco D, Tucker S, Hilgenfeld R, Froeyen M, Leyssen P, Neyts J.

Antimicrob Agents Chemother. 2014 Nov;58(11):6990-2. doi: 10.1128/AAC.03328-14. Epub 2014 Sep 8.

33.

Mutations in the chikungunya virus non-structural proteins cause resistance to favipiravir (T-705), a broad-spectrum antiviral.

Delang L, Segura Guerrero N, Tas A, Quérat G, Pastorino B, Froeyen M, Dallmeier K, Jochmans D, Herdewijn P, Bello F, Snijder EJ, de Lamballerie X, Martina B, Neyts J, van Hemert MJ, Leyssen P.

J Antimicrob Chemother. 2014 Oct;69(10):2770-84. doi: 10.1093/jac/dku209. Epub 2014 Jun 20.

PMID:
24951535
34.

A novel benzonitrile analogue inhibits rhinovirus replication.

Lacroix C, Querol-Audí J, Roche M, Franco D, Froeyen M, Guerra P, Terme T, Vanelle P, Verdaguer N, Neyts J, Leyssen P.

J Antimicrob Chemother. 2014 Oct;69(10):2723-32. doi: 10.1093/jac/dku200. Epub 2014 Jun 19.

PMID:
24948704
35.

Hepatitis C virus polymerase-polymerase contact interface: significance for virus replication and antiviral design.

López-Jiménez AJ, Clemente-Casares P, Sabariegos R, Llanos-Valero M, Bellón-Echeverría I, Encinar JA, Kaushik-Basu N, Froeyen M, Mas A.

Antiviral Res. 2014 Aug;108:14-24. doi: 10.1016/j.antiviral.2014.04.009. Epub 2014 May 6.

PMID:
24815023
36.

Base substituted 5'-O-(N-isoleucyl)sulfamoyl nucleoside analogues as potential antibacterial agents.

Gadakh B, Vondenhoff G, Lescrinier E, Rozenski J, Froeyen M, Van Aerschot A.

Bioorg Med Chem. 2014 May 15;22(10):2875-86. doi: 10.1016/j.bmc.2014.03.040. Epub 2014 Apr 5.

PMID:
24746466
37.

Substituted 2,6-bis(benzimidazol-2-yl)pyridines: a novel chemical class of pestivirus inhibitors that targets a hot spot for inhibition of pestivirus replication in the RNA-dependent RNA polymerase.

Musiu S, Pürstinger G, Stallinger S, Vrancken R, Haegeman A, Koenen F, Leyssen P, Froeyen M, Neyts J, Paeshuyse J.

Antiviral Res. 2014 Jun;106:71-9. doi: 10.1016/j.antiviral.2014.03.010. Epub 2014 Mar 27.

PMID:
24680957
38.

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

Pérez-Castillo Y, Cruz-Monteagudo M, Lazar C, Taminau J, Froeyen M, Cabrera-Pérez MA, Nowé A.

Mol Divers. 2014 Aug;18(3):637-54. doi: 10.1007/s11030-014-9513-y. Epub 2014 Mar 27.

PMID:
24671521
39.

N-alkylated aminoacyl sulfamoyladenosines as potential inhibitors of aminoacylation reactions and microcin C analogues containing D-amino acids.

Vondenhoff GH, Pugach K, Gadakh B, Carlier L, Rozenski J, Froeyen M, Severinov K, Van Aerschot A.

PLoS One. 2013 Nov 4;8(11):e79234. doi: 10.1371/journal.pone.0079234. eCollection 2013.

40.

Discovery of an acyclic nucleoside phosphonate that inhibits Mycobacterium tuberculosis ThyX based on the binding mode of a 5-alkynyl substrate analogue.

Parchina A, Froeyen M, Margamuljana L, Rozenski J, De Jonghe S, Briers Y, Lavigne R, Herdewijn P, Lescrinier E.

ChemMedChem. 2013 Aug;8(8):1373-83. doi: 10.1002/cmdc.201300146. Epub 2013 Jul 8.

PMID:
23836539
41.

Binary genetic cassettes for selecting XNA-templated DNA synthesis in vivo.

Pezo V, Liu FW, Abramov M, Froeyen M, Herdewijn P, Marlière P.

Angew Chem Int Ed Engl. 2013 Jul 29;52(31):8139-43. doi: 10.1002/anie.201303288. Epub 2013 Jun 26. No abstract available.

PMID:
23804524
42.

Role of the viral hemagglutinin in the anti-influenza virus activity of newly synthesized polycyclic amine compounds.

Torres E, Duque MD, Vanderlinden E, Ma C, Pinto LH, Camps P, Froeyen M, Vázquez S, Naesens L.

Antiviral Res. 2013 Sep;99(3):281-91. doi: 10.1016/j.antiviral.2013.06.006. Epub 2013 Jun 22.

PMID:
23800838
43.

Enantiomeric selection properties of β-homoDNA: enhanced pairing for heterochiral complexes.

D'Alonzo D, Amato J, Schepers G, Froeyen M, Van Aerschot A, Herdewijn P, Guaragna A.

Angew Chem Int Ed Engl. 2013 Jun 24;52(26):6662-5. doi: 10.1002/anie.201301659. Epub 2013 May 13. No abstract available.

PMID:
23670912
44.

Thermodynamic computational approach to capture molecular recognition in the binding of different inhibitors to the DNA gyrase B subunit from Escherichia coli.

Saíz-Urra L, Pérez MÁ, Froeyen M.

J Mol Model. 2013 Aug;19(8):3187-200. doi: 10.1007/s00894-013-1849-1. Epub 2013 Apr 30.

PMID:
23625033
45.

A synthetic substrate of DNA polymerase deviating from the bases, sugar, and leaving group of canonical deoxynucleoside triphosphates.

Jang MY, Song XP, Froeyen M, Marlière P, Lescrinier E, Rozenski J, Herdewijn P.

Chem Biol. 2013 Mar 21;20(3):416-23. doi: 10.1016/j.chembiol.2013.02.010.

46.

Characterization and molecular modeling of the inclusion complexes of 2-(2-nitrovinyl) furan (G-0) with cyclodextrines.

Ruz V, Froeyen M, Busson R, González MM, Baudemprez L, Van den Mooter G.

Int J Pharm. 2012 Dec 15;439(1-2):275-85. doi: 10.1016/j.ijpharm.2012.09.025. Epub 2012 Sep 16.

PMID:
22989977
47.

GA(M)E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design.

Pérez-Castillo Y, Lazar C, Taminau J, Froeyen M, Cabrera-Pérez MÁ, Nowé A.

J Chem Inf Model. 2012 Sep 24;52(9):2366-86. Epub 2012 Aug 28.

PMID:
22856471
48.

Solution structure and conformational dynamics of deoxyxylonucleic acids (dXNA): an orthogonal nucleic acid candidate.

Maiti M, Siegmund V, Abramov M, Lescrinier E, Rosemeyer H, Froeyen M, Ramaswamy A, Ceulemans A, Marx A, Herdewijn P.

Chemistry. 2012 Jan 16;18(3):869-79. doi: 10.1002/chem.201102509. Epub 2011 Dec 16.

PMID:
22180030
49.

Synthesis and inhibitory activity of thymidine analogues targeting Mycobacterium tuberculosis thymidine monophosphate kinase.

Van Poecke S, Munier-Lehmann H, Helynck O, Froeyen M, Van Calenbergh S.

Bioorg Med Chem. 2011 Dec 15;19(24):7603-11. doi: 10.1016/j.bmc.2011.10.021. Epub 2011 Oct 18.

PMID:
22061826
50.

Identification of a novel resistance mutation for benzimidazole inhibitors of the HCV RNA-dependent RNA polymerase.

Delang L, Froeyen M, Herdewijn P, Neyts J.

Antiviral Res. 2012 Jan;93(1):30-8. doi: 10.1016/j.antiviral.2011.10.012. Epub 2011 Oct 19.

PMID:
22033247

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