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Probing the Interactions of Thiazole Abietane Inhibitors with the Human Serine ...
Ahonen, Tiina J.; Ng, Choa P.; Farinha, Beatriz; Almeida, Bárbara; Victor, Bruno L.; Reynolds, Christopher; Kalso, Eija; Yli-Kauhaluoma, Jari12-Thiazole abietanes are highly selective reversible inhibitors of hABHD16A that could potentially alleviate neuroinflammation. In this study, we used synthetic chemistry, competitive activity-based protein profiling, and computational methodologies to try to establish relevant structural determinants of activity and selectivity of this class of compounds for inhibiting ABHD16A over ABHD12. Five compounds sign...
29th Annual GP2A Medicinal Chemistry Conference
Helesbeux, Jean-Jacques; Carro, Laura; McCarthy, Florence O.; Moreira, Vânia M.; Giuntini, Francesca; O'Boyle, Niamh; Matthews, Susan E.The 29th Annual GP2A (Group for the Promotion of Pharmaceutical chemistry in Academia) Conference was a virtual event this year due to the COVID-19 pandemic and spanned three days from Wednesday 25 to Friday 27 August 2021. The meeting brought together an international delegation of researchers with interests in medicinal chemistry and interfacing disciplines. Abstracts of keynote lectures given by the 10 invit...
Diagnosis of SARS-CoV-2 infection by RT-PCR using specimens other than naso- an...
Moreira, Vânia M.; Mascarenhas, Paulo; Machado, Vanessa; Botelho, João; Mendes, José João; Taveira, Nuno; Almeida, M. GabrielaThe rapid and accurate testing of SARS-CoV-2 infection is still crucial to mitigate, and eventually halt, the spread of this disease. Currently, nasopharyngeal swab (NPS) and oropharyngeal swab (OPS) are the recommended standard sampling techniques, yet, these have some limitations such as the complexity of collection. Hence, several other types of specimens that are easier to obtain are being tested as alterna...
Efficient oxidation of oleanolic acid derivatives using magnesium bis(monoperox...
Salvador, Jorge A. R.; Moreira, Vânia M.; Pinto, Rui M. A.; Leal, Ana; Paixão, J. A.A new, straightforward and high yielding procedure to convert oleanolic acid derivatives into the corresponding δ-hydroxy-γ-lactones, by using the convenient oxidizing agent magnesium bis(monoperoxyphthalate) hexahydrate (MMPP) in refluxing acetonitrile, is reported. In addition, a two-step procedure for the preparation of oleanolic 12-oxo-28-carboxylic acid derivatives directly from Δ(12)-oleananes, without th...
3-Oxoandrosta-4,6-dien-17[beta]-yl 2-methyl-1H-imidazole-1-carboxylate and 3-ox...
Silva, Manuela Ramos; Moreira, Vânia M.; Cardoso, Cláudia; Beja, Ana Matos; Salvador, Jorge A. R.The title compounds, C24H30N2O3, (I), and C24H34N2O3, (II), both contain an androstane backbone and a 2-methylimidazole-1-carboxylate moiety at the 17-position. Compound (I) contains two symmetry-independent molecules (denoted 1 and 2), while compound (II) contains just one molecule in the asymmetric unit. The C-C-O-C torsion angle that reflects the twisting of the 2-methylimidazole-1-carboxylate moiety from th...
Conformation of 17-chloro-16-formylandrosta-5,16-dien-3[beta]-yl acetate and 17...
Silva, Manuela Ramos; Moreira, Vânia M.; Cardoso, Cláudia; Beja, Ana Matos; Salvador, Jorge A. R.In the title compounds, C22H29ClO3, (I), and C21H29ClO2, (II), respectively, the B rings adopt a half-chair conformation and the D rings adopt an envelope conformation. A twist of the steroid skeleton of both compounds is observed. There is a positional disorder of the acetoxy group of (II), with the terminal atoms disordered over two positions with near equal occupancy. Quantum-mechanical ab initio calculation...