Remote monitoring in rheumatoid arthritis for early detection of flare, does remote patient-reported flare assessment agree with clinician flare assessment?

Chatterjee, Saion

doi:10.1186/isrctn15980128

Cited by 2 publications

(2 citation statements)

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“…, EC 50 > 4 µM) compounds. The QSAR model was constructed using FieldTemplater (Flare, Cresset Software 34 ) according to a field point template which describes the shape, electrostatic and hydrophobic properties of the molecules, and their spatial distribution. 35 The field point template was generated by aligning and overlapping all molecules to maximise similarity in terms of electrostatic and molecular shape.…”

Section: Resultsmentioning

confidence: 99%

Structure-Activity Relationships, Tolerability and Efficacy of Microtubule-Active 1,2,4-Triazolo[1,5-a]pyrimidines as Potential Candidates to Treat Human African Trypanosomiasis

Monti

Liu

Varricchio

et al. 2023

Preprint

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Tubulin and microtubules (MTs) are potential protein targets to treat parasitic infections and our previous studies have shown that the triazolopyrimidine (TPD) class of MT-active compounds hold promise as antitrypanosomal agents. MT-targeting TPDs include structurally related but functionally diverse congeners that interact with mammalian tubulin at either one or two distinct interfacial binding sites; namely, the seventh and vinca sites, which are found within or between α,β-tubulin heterodimers, respectively. Evaluation of the activity of 123 TPD congeners against cultured Trypanosoma brucei enabled a robust quantitative structure-activity relationship (QSAR) model and the prioritization of two congeners for in vivo pharmacokinetics (PK), tolerability and efficacy studies. Treatment of T. brucei-infected mice with tolerable doses of TPDs 3 and 4 significantly decreased blood parasitemia within 24 h. Further, two once-weekly doses of 4 at 10 mg/kg significantly extended the survival of infected mice relative to infected animals treated with vehicle. Further optimization of dosing and/or the dosing schedule of these CNS-active TPDs may provide alternative treatments for human African trypanosomiasis.

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Section: Resultsmentioning

confidence: 99%

Structure-Activity Relationships, Tolerability and Efficacy of Microtubule-Active 1,2,4-Triazolo[1,5-a]pyrimidines as Potential Candidates to Treat Human African Trypanosomiasis

Monti

Liu

Varricchio

et al. 2023

Preprint

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“…For the records, that similarity scheme is based on a fingerprint derived from a wide panel of numeric descriptors including molecular weight, number of rotatable bonds, number of hydrogen acceptor/donor atoms, topological polar surface area and octanol-water partition coefficient [28]. In a second stage, docking simulations with LeadFinder [30] as implemented in Flare [31] are conducted to screen DB against the crystal structure of the cap-snatching endonuclease of Hantaan virus, which is deposited in the Protein Data Bank with code 5IZE [27]. Docking allows assessment of the protein-ligand interaction by generating a series of 'poses' of the drug in the target binding site [32][33][34].…”

Section: Computational Modelsmentioning

confidence: 99%

Antiviral Activity of Acetylsalicylic Acid against Bunyamwera Virus in Cell Culture

Fernández-Sánchez

Cerón‐Carrasco

Risco

et al. 2023

Viruses

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The Bunyavirales order is a large group of RNA viruses that includes important pathogens for humans, animals and plants. With high-throughput screening of clinically tested compounds we have looked for potential inhibitors of the endonuclease domain of a bunyavirus RNA polymerase. From a list of fifteen top candidates, five compounds were selected and their antiviral properties studied with Bunyamwera virus (BUNV), a prototypic bunyavirus widely used for studies about the biology of this group of viruses and to test antivirals. Four compounds (silibinin A, myricetin, L-phenylalanine and p-aminohippuric acid) showed no antiviral activity in BUNV-infected Vero cells. On the contrary, acetylsalicylic acid (ASA) efficiently inhibited BUNV infection with a half maximal inhibitory concentration (IC50) of 2.02 mM. In cell culture supernatants, ASA reduced viral titer up to three logarithmic units. A significant dose-dependent reduction of the expression levels of Gc and N viral proteins was also measured. Immunofluorescence and confocal microscopy showed that ASA protects the Golgi complex from the characteristic BUNV-induced fragmentation in Vero cells. Electron microscopy showed that ASA inhibits the assembly of Golgi-associated BUNV spherules that are the replication organelles of bunyaviruses. As a consequence, the assembly of new viral particles is also significantly reduced. Considering its availability and low cost, the potential usability of ASA to treat bunyavirus infections deserves further investigation.

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Remote monitoring in rheumatoid arthritis for early detection of flare, does remote patient-reported flare assessment agree with clinician flare assessment?

Cited by 2 publications

References 0 publications

Structure-Activity Relationships, Tolerability and Efficacy of Microtubule-Active 1,2,4-Triazolo[1,5-a]pyrimidines as Potential Candidates to Treat Human African Trypanosomiasis

Structure-Activity Relationships, Tolerability and Efficacy of Microtubule-Active 1,2,4-Triazolo[1,5-a]pyrimidines as Potential Candidates to Treat Human African Trypanosomiasis

Antiviral Activity of Acetylsalicylic Acid against Bunyamwera Virus in Cell Culture

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