Opening book details…
Can I read Identification of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based small molecules as selective BRD9 binders on EtoBox?
Identification of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based small molecules as selective BRD9 binders by Ester Colarusso; Sara Ceccacci; Maria Chiara Monti; Erica Gazzillo; Assunta Giordano; Maria Giovanna Chini; Maria Grazia Ferraro; Marialuisa Piccolo; Dafne Ruggiero; Carlo Irace; Stefania Terracciano; Ines Bruno; Giuseppe Bifulco; Gianluigi Lauro is a Chemistry article available to read on EtoBox.
What is Identification of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based small molecules as selective BRD9 binders about?
Targeting bromodomain-containing protein 9 (BRD9) represents a promising strategy for the development of new agents endowed with anticancer properties. With this aim, a set of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based compounds was investigated following a combined approach that relied on in silico studies, chemical synthesis, biophysical and biological evaluation of the most promising items. The protocol was initially based on molecular docking experiments, accounting a library of 1896 potentially synthesizable items tested in silico against the bromodomain of BRD9. A first set of 21 compounds (1-21) was selected and the binding on BDR9 was assessed through AlphaScreen assays. The obtained results disclosed compounds 17 and 20 able to bind BRD9 in the submicromolar range (IC 50 = 0.35 ± 0.18 μM and IC 50 = 0.14 ± 0.03 μM, respectively) showing a promising selectivity profile when tested against further nine bromodomains. Taking advantage of 3D structure-based pharmacophore models, additional 10 derivatives were selected in silico for the synthetic step and binding assessment, highlighting seven compounds (22, 23, 25, 26, 28, 29, 31) able to selectively bind BRD
Who reads Identification of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based small molecules as selective BRD9 binders?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Ester Colarusso; Sara Ceccacci; Maria Chiara Monti; Erica Gazzillo; Assunta Giordano; Maria Giovanna Chini; Maria Grazia Ferraro; Marialuisa Piccolo; Dafne Ruggiero; Carlo Irace; Stefania Terracciano; Ines Bruno; Giuseppe Bifulco; Gianluigi Lauro
- Publisher
- Elsevier BV
- Published
- 2023
- Language
- EN
- Field
- Chemistry (Physical Sciences)