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- W4243757058 abstract "Merged structure-based pharmacophore modelling followed by 3D database search and molecular docking were the sequential protocol applied in order to identify selective novel COX-2 and PDE4D as dual target anti-inflammatory inhibitors. Utilisation of the key interaction features of crystal structures of COX-2 (pdb: 1CX2) and PDE4D (pdb: N0YN) was exploited as critical component in the selection of dual target inhibitors. Through this approach, nine chalcone and flavones scaffold-like compounds were selected as putative dual target anti-inflammatory inhibitors from Asinex database. In general, understanding such approach could provide valuable insights into discovery of novel anti-inflammatory inhibitors as therapeutic agents." @default.
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- W4243757058 date "2018-01-01" @default.
- W4243757058 modified "2023-09-26" @default.
- W4243757058 title "Identification of dual target anti-inflammatory inhibitors using merged structure-based pharmacophore modelling and docking approach" @default.
- W4243757058 doi "https://doi.org/10.1504/ijcbdd.2018.10015798" @default.
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