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

Autor: Monica S. Sá, Rebecca C. Wade, Claudia Danielli Pereira Bertolacini, Puneet Saxena, Bruno dos Santos Pascoalino, Markus Wolf, Ulrike Wittig, Wolfgang Müller, William N. Hunter, Anabela Cordeiro-da-Silva, Maria Paola Costi, Ina Pöhner, Jeanette Reinshagen, Véronique Hannaert, Nuno Santarém, Pasquale Linciano, Carolina B. Moraes, Philip Gribbon, Alice Dawson, Gesa Witt, Vanessa Fontana, Stefania Ferrari, Laura M. Alcântara, Giuseppe Cannazza, G. Landi, Bernhard Ellinger, Maria Kuzikov, Paul A.M. Michels, Stefano Mangani, David Costa, Erika Nerini, Birte Behrens, Sandra Lazzari, Cecilia Pozzi, Flavio Di Pisa, Lucio H. Freitas-Junior, Luca Costantino, Rosaria Luciani, Sheraz Gul

Publikováno v: ACS Omega, Vol 2, Iss 9, Pp 5666-5683 (2017)
'ACS Omega ', vol: 2, pages: 5666-5683 (2017)
Linciano, P, Dawson, A, Pöhner, I, Costa, D M, Sa, M S, 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, P A M, Nerini, E, Pozzi, C, Di Pisa, F, Landi, G, Santarem, N, Ferrari, S, Saxena, P, Lazzari, S, Cannazza, G, Freitas-Junior, L H, Moraes, C B, Pascoalino, B S, Alcantara, L M, Bertolacini, C P, Fontana, V, Wittig, U, Müller, W, Wade, R C, Hunter, W N, Mangani, S, Costantino, L & Costi, M P 2017, ' Exploiting the 2‑Amino-1,3,4-thiadiazole scaffold to inhibit trypanosoma brucei pteridine reductase in support of early-stage drug discovery ', ACS Omega, vol. 2, no. 9, pp. 5666-5683 . https://doi.org/10.1021/acsomega.7b00473

Pteridine reductase-1 (PTR1) is a promising drug target for the treatment of trypanosomiasis. We investigated the potential of a previously identified class of thiadiazole inhibitors of Leishmania major PTR1 for activity against Trypanosoma brucei (T

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28935a981ead5c6c4b6475eb3f00313c
https://doi.org/10.1021/acsomega.7b00473

Adhere today, still here tomorrow

Autor: Stefanelli, Cesare, Erika, Nerini

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3709::e0b3af9186947dcac622869236f6b8af
http://hdl.handle.net/11392/1767498

Computational studies of epidermal growth factor receptor: docking reliability, three-dimensional quantitative structure-activity relationship analysis, and virtual screening studies

Autor: Erika Nerini, Tiziano Tuccinardi, Stefania Sartini, Federico Da Settimo, Concettina La Motta, Adriano Martinelli

Publikováno v: Journal of medicinal chemistry. 52(4)

An aberrant activity of the epidermal growth factor receptor (EGFR) has been shown to be related to many human cancers, such as breast and liver cancers, thus making EGFR an attractive target for antitumor drug discovery. In this study we evaluated t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::767adb7a531f72e787f7c8a8b75c6705
https://pubmed.ncbi.nlm.nih.gov/19170633

Computational Studies of Epidermal Growth Factor Receptor: Docking Reliability, Three-Dimensional Quantitative Structure−Activity Relationship Analysis, and Virtual Screening Studies.

Autor: Concettina La Motta, Stefania Sartini, Tiziano Tuccinardi, Erika Nerini, Federico Da Settimo, Adriano Martinelli

Publikováno v: Journal of Medicinal Chemistry; Feb2009, Vol. 52 Issue 4, p964-975, 12p