Ligand Based Drug Discovery

StarDrop is an enterprise platform of fully integrated, elegant software for small molecule design, optimisation and data analysis. StarDrop helps you deliver optimally balanced, successful compounds, fast.

Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimisation challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesise and test fewer compounds.

StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process.

Instantly understand and explore the structure-activity relationships in your chemical series

Analysing structure-activity relationships (SAR) using R-group analysis or computational methods such as clustering, matched pair and activity landscape analyses produces valuable information to guide compound optimisation.

42 human toxicity end points are an added value with the lite version of Derek Nexus within StarDrop.

Quantum chemistry based metabolic stability and regio-selectivity analysis. 3D pharmacophore screening and conformational sampling are other features to add.

R-Group Analysis

• Analyse chemical series
• Analyse SAR simultaneously across multiple scaffolds
• Link to data visualisations and chemical spaces
• Enumerate a full, combinatorial library

Matched pair analysis, for example, helps you to identify strategies for lead optimisation by identifying transformations that provide a consistent, significant improvement in a property of interest

Activity Landscapes and Neighbourhoods

• Identify activity cliffs
• Find regions of high variation in activity with interesting SAR
• Spot regions of ‘flat’ SAR which may limit the potential to optimise activity or present opportunities to optimise other properties without negatively impacting activity

Clustering

• Maximum common substructure
• Compound similarity
• Properties

Zastra Innovations

KB - Drug Discovery

[email protected]

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