Publications
Our published work.
Research Papers

Targeting transthyretin amyloidosis in the eye with next-generation stabilizers: AT40 displays potent TTR stabilization in the human vitreous.
Bezerra F, Simões CJV, Beirão JM, Saraiva MJ, Brito RMM, Almeida MR
Amyloid. 2019;26(sup1):73-74
Lead optimization of resilient next-generation transthyretin stabilizers for multiple target-product profiles: approaching the CNS
Simões CJV, Almeida ZL, Cardoso AL, Bezerra F, Almeida MR, Beirão J, Pinho e Melo TMVD, Saraiva MJ, Brito RMM
Amyloid. 2019;26(sup1):77-78
A novel bis-furan scaffold transthyretin stabilization and amyloid inhibition.
Simões CJV, Almeida ZL, Costa D, Jesus CSH, Cardoso AL, Almeida MR, Saraiva MJ, Pinho e Melo TMVD, Brito RMM
Eur J Med Chem. 2016 Oct 4;121:823-840
Toward the discovery of functional transthyretin amyloid inhibitors: application of virtual screening methods.
Simões CJ, Mukherjee T, Brito RM, Jackson RM
J Chem Inf Model. 2010 Oct 25;50(10):1806-20
Potentially amyloidogenic conformational intermediates populate the unfolding landscape of transthyretin: insights from molecular dynamics simulations.
Rodrigues JR, Simões CJ, Silva CG, Brito RM
Protein Sci. 2010 Feb;19(2):202-19
A relational learning approach to Structure-Activity Relationships in drug design toxicity studies.
Camacho R, Pereira M, Costa VS, Fonseca NA, Adriano C, Simões CJ, Brito RM
J Integr Bioinform. 2011 Sep 16;8(3):182
A look into amyloid formation by transthyretin: aggregation pathway and a novel kinetic model.
Faria TQ, Almeida ZL, Cruz PF, Jesus CS, Castanheira P, Brito RM
Phys Chem Chem Phys. 2015 Mar 21;17(11):7255-63
A New Folding Kinetic Mechanism for Human Transthyretin and the Influence of the Amyloidogenic V30M Mutation.
Jesus CS, Almeida ZL, Vaz DC, Faria TQ, Brito RM
Int J Mol Sci. 2016 Aug 31;17(9)
Comparative calorimetric study of non-amyloidogenic and amyloidogenic variants of the homotetrameric protein transthyretin.
Shnyrov VL, Villar E, Zhadan GG, Sanchez-Ruiz JM, Quintas A, Saraiva MJ, Brito RM
Biophys Chem. 2000 Dec 15;88(1-3):61-7
Tetramer dissociation and monomer partial unfolding precedes protofibril formation in amyloidogenic transthyretin variants.
Quintas A, Vaz DC, Cardoso I, Saraiva MJ, Brito RM
J Biol Chem. 2001 Jul 20;276(29):27207-13
The tetrameric protein transthyretin dissociates to a non-native monomer in solution. A novel model for amyloidogenesis.
Quintas A, Saraiva MJ, Brito RM
J Biol Chem. 1999 Nov 12;274(46):32943-9Communications

AT50 Series: 2 - thioxothiazolin - 4 - one derivatives as novel potent transthyretin stabilizers
A.L. Cardoso , B.F.O. Nascimento, Z.L. Almeida, B.L. Victor, C.J.V. Simões, R.M.M. Brito, T.M.V.D Pinho e Melo
Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, July 2018, Palermo, Italy

Rational design, synthesis and biological evaluation of inhibitors of transthyretin amyloidogenesis: optimization of thiazolidinedione - based derivatives
Z.L. Almeida , C.J.V. Simões, B.F.O . Nascimento, B.L. Víctor; A.L. Cardoso, P.F. Cruz , T.M.V.D. Pinho e Melo , R.M.M. Brito
Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, July 2018, Palermo, Italy

Classification of corneal permeability of drug-like compounds using data mining and machine learning
Meireles J, Simões CJV, Brito RMM
11th International Conference on Chemical Structures, May 2018, Noordwijkerhout, The Netherlands

Lead Optimization of Resilient Second-Generation Transthyretin Stabilizers for Multiple Target-Product Profiles: Where Do We Go From Here?
Simões CJV, Almeida ZL, Cardoso AL, Almeida MR, Beirão J, Pinho e Melo TMVD, Saraiva MJ, Brito RMM
XVIth International Symposium on Amyloidosis, March 2018, Kumamoto, Japan

Targeting transthyretin amyloidosis in the eye with a second-generation stabilizer: AT40X01 displays potent TTR stabilization in the human vitreous.
Bezerra F, Beirão J, Simões CJV, Brito RMM, Saraiva MJ, Almeida MR
XVIth International Symposium on Amyloidosis, March 2018, Kumamoto, Japan

Highly active 2-thioxothiazolidin-4-one derivatives for transthyretin protein stabilization and amyloid fibril inhibition.
Nascimento BFO, Almeida ZL, Simões CJV, Victor BL, Cardoso AL, Brito RMM, Pinho e Melo TMVD
12th National Organic Chemistry Meeting (12ENQO) and the 5th National Medicinal Chemistry Meeting (5ENQT), January 2018, Coimbra, Portugal

Discovery of 2-thioxothiazolidin-4-ones as potent transthyretin stabilizers: a story of pride and prejudice in the quest for a better drug.
Simões CJV, Almeida ZL, Victor BL, Nascimento BFO, Cardoso AL, Pinho e Melo TMVD, Brito RMM
12th National Organic Chemistry Meeting (12ENQO) and the 5th National Medicinal Chemistry Meeting (5ENQT), January 2018, Coimbra, Portugal
Patents

Bis-furan derivatives as transthyretin (TTR) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Patent Application (PCT) no. WO/2016/203402

Bis-furan derivatives as transthyretin (TTR) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
United States Patent no. 10377729

Bis-furan derivatives as transthyretin (TTR) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
European Patent no. EP3307723

Bis-furan derivatives as transthyretin (TTR) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
The Netherlands | EP-NL Patent no. EP3307723

BIS-FURANDERIVATER SOM TRANSTHYRETIN (TTR)-STABILISERINGSMIDLER OG AMYLOIDHÆMMERE TIL BEHANDLING AF FAMILIÆR AMYLOID POLYNEUROPATI (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Denmark | Patent/Reg. no. DK/EP 3307723

Derivados de bis-furano como estabilizadores de transtirretina (TTR) e inibidores de amilóide para o tratamento de Polineuropatia Amiloidótica Familiar (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Portugal | EP-PT Patent no. EP3307723

Bisfuranderivat som prealbuminstabiliserande medel (TTR-stabiliserande medel) och amyloidhämmare för behandling av familjär amyloid polyneuropati (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Sweden | Patent no. SE 3307723 T3

Bis-furan derivate als transthyretin (TTR) stabilisatoren und amyloid inhibitoren zur behandlung von familiarer amyloid polyneuropathie (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Switzerland/Liechtenstein | EP-CH/LI Patent no. EP3307723

Bis-furan derivate als transthyretin (TTR) stabilisatoren und amyloid inhibitoren zur behandlung von familiarer amyloid polyneuropathie (FAP)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Germany | EP-DE Patent no. EP3307723

Dérivés bis-furan en tant que stabilisateurs de la transthyrétine (TTR) et inhibiteurs de l’amyloid pour le traitement de la polyneuropathie amiloide familiale (PAF)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
France | EP-FR Patent no. EP3307723

Bis-furan derivatives as transthyretin (ttr) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (fap)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
UK | EP-GB Patent no. EP3307723

Bis-furan derivatives as transthyretin (ttr) stabilizers and amyloid inhibitors for the treatment of familial amyloid polyneuropathy (fap)
Vieira Simões, Carlos José; Lourenço de Almeida, Zaida Catarina; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Pontes Meireles Ferreira de Brito, Rui Manuel; Silva Costa, Dora Cristina; Cabral Cardoso Lopes, Ana Lúcia
Ireland | EP-IE Patent no. EP3307723

2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof
Pontes Meireles Ferreira de Brito, Rui Manuel; Vieira Simões, Carlos José; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Victor, Bruno Lourenço da Silva; Lourenço de Almeida, Zaida Catarina; Lopes, Ana Lúcia Cabral Cardoso; Nascimento, Bruno Filipe Oliveira
Patent Application (PCT) no. WO/2016/080853

2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof
Pontes Meireles Ferreira de Brito, Rui Manuel; Vieira Simões, Carlos José; Vasconcelos Dias de Pinho e Melo, Teresa Margarida; Victor, Bruno Lourenço da Silva; Lourenço de Almeida, Zaida Catarina; Lopes, Ana Lúcia Cabral Cardoso; Nascimento, Bruno Filipe Oliveira