Sentence examples for optimisation of compound from inspiring English sources

RCY optimisation of compound [18F]5.

In silico predictive models have proved valuable for the optimisation of compound potency, selectivity and safety profiles.

In silico predictive models have proved to be valuable for the optimisation of compound potency, selectivity and safety profiles in the drug discovery process.

Optimisation of this compound by rational design afforded compounds with Kd values of <10 nM.

A desirability function was then employed in addition to the simultaneous optimisation of the compounds.

Collectively, the data we present on structure-based design of eIF4E cap-binding inhibitors should facilitate the optimisation of such compounds as potential anticancer agents.

Optimisation of these compounds would have the same therapeutic objective but would show different SAR.

To further improve potency, pharmacokinetic properties and physicochemical properties, we performed optimisation on this series of compound using structure-based design.[ 46] Compounds containing an adamantyl group linked to a heterocyclic unit through a multiatom linker with a carbonyl group attached to the adamantane, as illustrated by general structure 5, were synthesised.

To improve potency, pharmacokinetic properties and physicochemical properties, we performed further optimisation on this series of compound using structure-based design.[ 43] We synthesised compounds containing a pyridyl ring tethered to an adamantyl ethanone motif through an oxygen, sulfur, sulfoxide, sulfone or amide linker, and examined their inhibitory activity against human 11β-HSD1.

In the design of the present series, the focus was on the optimisation of biological activities of compounds – especially by varying their size, the position and orientation of key functional groups, and their acid base properties.

A number of applications for such maps can be identified, ranging from the fine-tuning and optimisation of catalytic activity and compound properties to virtual screening of novel compounds, as well as the exhaustive exploration of large areas of chemical space by automated combinatorial building and evaluation.