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Items: 1 to 20 of 69

1.

Effects of novel HDAC inhibitors on urothelial carcinoma cells.

Kaletsch A, Pinkerneil M, Hoffmann MJ, Jaguva Vasudevan AA, Wang C, Hansen FK, Wiek C, Hanenberg H, Gertzen C, Gohlke H, Kassack MU, Kurz T, Schulz WA, Niegisch G.

Clin Epigenetics. 2018 Jul 31;10(1):100. doi: 10.1186/s13148-018-0531-y.

2.
3.

Design, synthesis, molecular docking and anti-hepatocellular carcinoma evaluation of novel acyclic pyridine thioglycosides.

Elgemeie GH, Fathy NM, Farag AB, Alkhursani SA.

Nucleosides Nucleotides Nucleic Acids. 2018 Mar 4;37(3):186-198. doi: 10.1080/15257770.2018.1450508. Epub 2018 Apr 2.

PMID:
29608403
4.

Molecular docking to Toxoplasma gondii thymidylate synthase-dihydrofolate reductase and efficacy of raltitrexed in infected mice.

de Paula Reis M, de Lima DA, Pauli KB, Andreotti CEL, de Moraes ALS, Gonçalves DD, Navarro IT, Bueno PSA, Seixas FAV, Gasparotto Junior A, Lourenço ELB.

Parasitol Res. 2018 May;117(5):1465-1471. doi: 10.1007/s00436-018-5835-5. Epub 2018 Mar 17.

PMID:
29550996
5.

Biomolecular study of human thymidylate synthase conformer-selective inhibitors: New chemotherapeutic approach.

El-Mesallamy HO, El Magdoub HM, Chapman JM, Hamdy NM, Schaalan MF, Hammad LN, Berger SH.

PLoS One. 2018 Mar 14;13(3):e0193810. doi: 10.1371/journal.pone.0193810. eCollection 2018.

6.

Fluorescence and computational studies of thymidine phosphorylase affinity toward lipidated 5-FU derivatives.

Lettieri R, D'Abramo M, Stella L, La Bella A, Leonelli F, Giansanti L, Venanzi M, Gatto E.

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Apr 15;195:84-94. doi: 10.1016/j.saa.2018.01.036. Epub 2018 Jan 16.

PMID:
29414586
7.

Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.

Jarmuła A, Wilk P, Maj P, Ludwiczak J, Dowierciał A, Banaszak K, Rypniewski W, Cieśla J, Dąbrowska M, Frączyk T, Bronowska AK, Jakowiecki J, Filipek S, Rode W.

J Mol Graph Model. 2017 Oct;77:33-50. doi: 10.1016/j.jmgm.2017.08.008. Epub 2017 Aug 12.

PMID:
28826032
8.

Synthesis, characterization and molecular docking studies of thiouracil derivatives as potent thymidylate synthase inhibitors and potential anticancer agents.

El-Naggar AM, Abou-El-Regal MM, El-Metwally SA, Sherbiny FF, Eissa IH.

Mol Divers. 2017 Nov;21(4):967-983. doi: 10.1007/s11030-017-9776-1. Epub 2017 Aug 16.

PMID:
28815411
9.

An integrated approach towards the discovery of novel non-nucleoside Leishmania major pteridine reductase 1 inhibitors.

Leite FHA, Froes TQ, da Silva SG, de Souza EIM, Vital-Fujii DG, Trossini GHG, Pita SSDR, Castilho MS.

Eur J Med Chem. 2017 May 26;132:322-332. doi: 10.1016/j.ejmech.2017.03.043. Epub 2017 Mar 27.

PMID:
28407565
10.

Antimetabolites: Design, synthesis, and cytotoxic evaluation of novel dihydropyridine thioglycosides and pyridine thioglycosides.

Elgemeie GH, Fathy NM, Farag AB, Alkursani SA.

Nucleosides Nucleotides Nucleic Acids. 2017 May 4;36(5):355-377. doi: 10.1080/15257770.2017.1297454. Epub 2017 Apr 7.

PMID:
28387606
11.

Synthesis, antimalarial activity, heme binding and docking studies of N-substituted 4-aminoquinoline-pyrimidine molecular hybrids.

Maurya SS, Khan SI, Bahuguna A, Kumar D, Rawat DS.

Eur J Med Chem. 2017 Mar 31;129:175-185. doi: 10.1016/j.ejmech.2017.02.024. Epub 2017 Feb 15.

PMID:
28222317
12.
13.

Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case.

Siragusa L, Luciani R, Borsari C, Ferrari S, Costi MP, Cruciani G, Spyrakis F.

ChemMedChem. 2016 Aug 5;11(15):1653-66. doi: 10.1002/cmdc.201600121. Epub 2016 Jul 12.

14.

Human dihydrofolate reductase and thymidylate synthase form a complex in vitro and co-localize in normal and cancer cells.

Antosiewicz A, Jarmuła A, Przybylska D, Mosieniak G, Szczepanowska J, Kowalkowska A, Rode W, Cieśla J.

J Biomol Struct Dyn. 2017 May;35(7):1474-1490. doi: 10.1080/07391102.2016.1186560. Epub 2016 Aug 5.

PMID:
27187663
15.

Non-covalent interactions involving halogenated derivatives of capecitabine and thymidylate synthase: a computational approach.

Rahman A, Hoque MM, Khan MA, Sarwar MG, Halim MA.

Springerplus. 2016 Feb 24;5:146. doi: 10.1186/s40064-016-1844-y. eCollection 2016.

16.

Design, synthesis and antimalarial screening of some hybrid 4-aminoquinoline-triazine derivatives against pf-DHFR-TS.

Sahu S, Ghosh SK, Kalita J, Dutta M, Bhat HR.

Exp Parasitol. 2016 Apr;163:38-45. doi: 10.1016/j.exppara.2016.01.010. Epub 2016 Jan 25.

PMID:
26821296
17.

Synthesis, Biological Evaluation and Molecular Docking Studies of 6-Aryl-2-Styrylquinazolin-4(3H)-Ones.

Agbo EN, Makhafola TJ, Choong YS, Mphahlele MJ, Ramasami P.

Molecules. 2015 Dec 25;21(1):E28. doi: 10.3390/molecules21010028.

18.

Synthesis and evaluation of C-5 modified 2'-deoxyuridine monophosphates as inhibitors of M. tuberculosis thymidylate synthase.

Alexandrova LA, Chekhov VO, Shmalenyuk ER, Kochetkov SN, El-Asrar RA, Herdewijn P.

Bioorg Med Chem. 2015 Nov 15;23(22):7131-7. doi: 10.1016/j.bmc.2015.09.053. Epub 2015 Oct 9.

PMID:
26482569
19.

Synthesis, antimalarial activity and molecular docking of hybrid 4-aminoquinoline-1,3,5-triazine derivatives.

Bhat HR, Singh UP, Thakur A, Kumar Ghosh S, Gogoi K, Prakash A, Singh RK.

Exp Parasitol. 2015 Oct;157:59-67. doi: 10.1016/j.exppara.2015.06.016. Epub 2015 Jul 9.

PMID:
26164360
20.

Substrate channeling between the human dihydrofolate reductase and thymidylate synthase.

Wang N, McCammon JA.

Protein Sci. 2016 Jan;25(1):79-86. doi: 10.1002/pro.2720. Epub 2015 Jun 29.

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