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Items: 1 to 20 of 79

1.

Structural Insights into the Development of Cycloguanil Derivatives as Trypanosoma brucei Pteridine-Reductase-1 Inhibitors.

Landi G, Linciano P, Borsari C, Bertolacini CP, Moraes CB, Cordeiro-da-Silva A, Gul S, Witt G, Kuzikov M, Costi MP, Pozzi C, Mangani S.

ACS Infect Dis. 2019 May 1. doi: 10.1021/acsinfecdis.8b00358. [Epub ahead of print]

PMID:
31012301
2.

SAR Studies and Biological Characterization of a Chromen-4-one Derivative as an Anti-Trypanosoma brucei Agent.

Borsari C, Santarem N, Macedo S, Jiménez-Antón MD, Torrado JJ, Olías-Molero AI, Corral MJ, Tait A, Ferrari S, Costantino L, Luciani R, Ponterini G, Gul S, Kuzikov M, Ellinger B, Behrens B, Reinshagen J, Alunda JM, Cordeiro-da-Silva A, Costi MP.

ACS Med Chem Lett. 2019 Jan 29;10(4):528-533. doi: 10.1021/acsmedchemlett.8b00565. eCollection 2019 Apr 11.

PMID:
30996791
3.

Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.

Linciano P, Pozzi C, Iacono LD, di Pisa F, Landi G, Bonucci A, Gul S, Kuzikov M, Ellinger B, Witt G, Santarem N, Baptista C, Franco C, Moraes CB, Müller W, Wittig U, Luciani R, Sesenna A, Quotadamo A, Ferrari S, Pöhner I, Cordeiro-da-Silva A, Mangani S, Costantino L, Costi MP.

J Med Chem. 2019 Apr 25;62(8):3989-4012. doi: 10.1021/acs.jmedchem.8b02021. Epub 2019 Apr 9.

PMID:
30908048
4.

Structural isomers of the S2 state in photosystem II: do they exist at room temperature and are they important for function?

Chatterjee R, Lassalle L, Gul S, Fuller FD, Young ID, Ibrahim M, de Lichtenberg C, Cheah MH, Zouni A, Messinger J, Yachandra VK, Kern J, Yano J.

Physiol Plant. 2019 May;166(1):60-72. doi: 10.1111/ppl.12947. Epub 2019 Mar 15.

PMID:
30793319
5.

Accelerating Drug Discovery Efforts for Trypanosomatidic Infections Using an Integrated Transnational Academic Drug Discovery Platform.

Moraes CB, Witt G, Kuzikov M, Ellinger B, Calogeropoulou T, Prousis KC, Mangani S, Di Pisa F, Landi G, Iacono LD, Pozzi C, Freitas-Junior LH, Dos Santos Pascoalino B, Bertolacini CP, Behrens B, Keminer O, Leu J, Wolf M, Reinshagen J, Cordeiro-da-Silva A, Santarem N, Venturelli A, Wrigley S, Karunakaran D, Kebede B, Pöhner I, Müller W, Panecka-Hofman J, Wade RC, Fenske M, Clos J, Alunda JM, Corral MJ, Uliassi E, Bolognesi ML, Linciano P, Quotadamo A, Ferrari S, Santucci M, Borsari C, Costi MP, Gul S.

SLAS Discov. 2019 Mar;24(3):346-361. doi: 10.1177/2472555218823171.

PMID:
30784368
6.

Tetranuclear [MnIIIMn3IVO4] Complexes as Spectroscopic Models of the S2 State of the Oxygen Evolving Complex in Photosystem II.

Lee HB, Shiau AA, Oyala PH, Marchiori DA, Gul S, Chatterjee R, Yano J, Britt RD, Agapie T.

J Am Chem Soc. 2018 Dec 12;140(49):17175-17187. doi: 10.1021/jacs.8b09961. Epub 2018 Nov 30.

PMID:
30407806
7.

Structures of the intermediates of Kok's photosynthetic water oxidation clock.

Kern J, Chatterjee R, Young ID, Fuller FD, Lassalle L, Ibrahim M, Gul S, Fransson T, Brewster AS, Alonso-Mori R, Hussein R, Zhang M, Douthit L, de Lichtenberg C, Cheah MH, Shevela D, Wersig J, Seuffert I, Sokaras D, Pastor E, Weninger C, Kroll T, Sierra RG, Aller P, Butryn A, Orville AM, Liang M, Batyuk A, Koglin JE, Carbajo S, Boutet S, Moriarty NW, Holton JM, Dobbek H, Adams PD, Bergmann U, Sauter NK, Zouni A, Messinger J, Yano J, Yachandra VK.

Nature. 2018 Nov;563(7731):421-425. doi: 10.1038/s41586-018-0681-2. Epub 2018 Nov 7.

8.

Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies.

Kubin M, Guo M, Kroll T, Löchel H, Källman E, Baker ML, Mitzner R, Gul S, Kern J, Föhlisch A, Erko A, Bergmann U, Yachandra V, Yano J, Lundberg M, Wernet P.

Chem Sci. 2018 Jul 17;9(33):6813-6829. doi: 10.1039/c8sc00550h. eCollection 2018 Sep 7.

9.

In vitro and in silico analysis of the effects of D2 receptor antagonist target binding kinetics on the cellular response to fluctuating dopamine concentrations.

de Witte WEA, Versfelt JW, Kuzikov M, Rolland S, Georgi V, Gribbon P, Gul S, Huntjens D, van der Graaf PH, Danhof M, Fernández-Montalván A, Witt G, de Lange ECM.

Br J Pharmacol. 2018 Nov;175(21):4121-4136. doi: 10.1111/bph.14456. Epub 2018 Sep 21.

10.

X-ray Emission Spectroscopy as an in Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free-Electron Laser.

Fransson T, Chatterjee R, Fuller FD, Gul S, Weninger C, Sokaras D, Kroll T, Alonso-Mori R, Bergmann U, Kern J, Yachandra VK, Yano J.

Biochemistry. 2018 Aug 7;57(31):4629-4637. doi: 10.1021/acs.biochem.8b00325. Epub 2018 Jun 28.

11.

Therapeutics discovery: From bench to first in-human trials.

Al-Hujaily EM, Khatlani T, Alehaideb Z, Ali R, Almuzaini B, Alrfaei BM, Iqbal J, Islam I, Malik S, Marwani BA, Massadeh S, Nehdi A, Alsomaie B, Debasi B, Bushnak I, Noibi S, Hussain S, Wajid WA, Armand JP, Gul S, Oyarzabal J, Rais R, Bountra C, Alaskar A, Knawy BA, Boudjelal M.

Biomed Rep. 2018 Mar;8(3):275-282. doi: 10.3892/br.2018.1052. Epub 2018 Jan 31.

12.

In situ/Operando studies of electrocatalysts using hard X-ray spectroscopy.

Lassalle-Kaiser B, Gul S, Kern J, Yachandra VK, Yano J.

J Electron Spectros Relat Phenomena. 2017 Nov;221:18-27. doi: 10.1016/j.elspec.2017.05.001. Epub 2017 May 2.

13.

Development of a Focused Library of Triazole-Linked Privileged-Structure-Based Conjugates Leading to the Discovery of Novel Phenotypic Hits against Protozoan Parasitic Infections.

Uliassi E, Piazzi L, Belluti F, Mazzanti A, Kaiser M, Brun R, Moraes CB, Freitas-Junior LH, Gul S, Kuzikov M, Ellinger B, Borsari C, Costi MP, Bolognesi ML.

ChemMedChem. 2018 Apr 6;13(7):678-683. doi: 10.1002/cmdc.201700786. Epub 2018 Feb 16.

PMID:
29451361
14.

Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.

Linciano P, Moraes CB, Alcantara LM, Franco CH, Pascoalino B, Freitas-Junior LH, Macedo S, Santarem N, Cordeiro-da-Silva A, Gul S, Witt G, Kuzikov M, Ellinger B, Ferrari S, Luciani R, Quotadamo A, Costantino L, Costi MP.

Eur J Med Chem. 2018 Feb 25;146:423-434. doi: 10.1016/j.ejmech.2018.01.043. Epub 2018 Jan 31.

PMID:
29407968
15.

Structure-activity analysis of CJ-15,801 analogues that interact with Plasmodium falciparum pantothenate kinase and inhibit parasite proliferation.

Spry C, Sewell AL, Hering Y, Villa MVJ, Weber J, Hobson SJ, Harnor SJ, Gul S, Marquez R, Saliba KJ.

Eur J Med Chem. 2018 Jan 1;143:1139-1147. doi: 10.1016/j.ejmech.2017.08.050. Epub 2017 Aug 25.

PMID:
29233590
16.

From receptor binding kinetics to signal transduction; a missing link in predicting in vivo drug-action.

Nederpelt I, Kuzikov M, de Witte WEA, Schnider P, Tuijt B, Gul S, IJzerman AP, de Lange ECM, Heitman LH.

Sci Rep. 2017 Oct 26;7(1):14169. doi: 10.1038/s41598-017-14257-4.

17.

The Target Residence Time of Antihistamines Determines Their Antagonism of the G Protein-Coupled Histamine H1 Receptor.

Bosma R, Witt G, Vaas LAI, Josimovic I, Gribbon P, Vischer HF, Gul S, Leurs R.

Front Pharmacol. 2017 Sep 25;8:667. doi: 10.3389/fphar.2017.00667. eCollection 2017.

18.

Crassiflorone derivatives that inhibit Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (TbGAPDH) and Trypanosoma cruzi trypanothione reductase (TcTR) and display trypanocidal activity.

Uliassi E, Fiorani G, Krauth-Siegel RL, Bergamini C, Fato R, Bianchini G, Carlos Menéndez J, Molina MT, López-Montero E, Falchi F, Cavalli A, Gul S, Kuzikov M, Ellinger B, Witt G, Moraes CB, Freitas-Junior LH, Borsari C, Costi MP, Bolognesi ML.

Eur J Med Chem. 2017 Dec 1;141:138-148. doi: 10.1016/j.ejmech.2017.10.005. Epub 2017 Oct 3.

PMID:
29031061
19.

Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.

Linciano P, Dawson A, Pöhner I, Costa DM, Sá MS, Cordeiro-da-Silva A, Luciani R, Gul S, Witt G, Ellinger B, Kuzikov M, Gribbon P, Reinshagen J, Wolf M, Behrens B, Hannaert V, Michels PAM, Nerini E, Pozzi C, di Pisa F, Landi G, Santarem N, Ferrari S, Saxena P, Lazzari S, Cannazza G, Freitas-Junior LH, Moraes CB, Pascoalino BS, Alcântara LM, Bertolacini CP, Fontana V, Wittig U, Müller W, Wade RC, Hunter WN, Mangani S, Costantino L, Costi MP.

ACS Omega. 2017 Sep 30;2(9):5666-5683. doi: 10.1021/acsomega.7b00473. Epub 2017 Sep 11.

20.

Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers.

Kubin M, Kern J, Gul S, Kroll T, Chatterjee R, Löchel H, Fuller FD, Sierra RG, Quevedo W, Weniger C, Rehanek J, Firsov A, Laksmono H, Weninger C, Alonso-Mori R, Nordlund DL, Lassalle-Kaiser B, Glownia JM, Krzywinski J, Moeller S, Turner JJ, Minitti MP, Dakovski GL, Koroidov S, Kawde A, Kanady JS, Tsui EY, Suseno S, Han Z, Hill E, Taguchi T, Borovik AS, Agapie T, Messinger J, Erko A, Föhlisch A, Bergmann U, Mitzner R, Yachandra VK, Yano J, Wernet P.

Struct Dyn. 2017 Sep 1;4(5):054307. doi: 10.1063/1.4986627. eCollection 2017 Sep.

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