A Fragmentation Enumeration Approach to Generating Novel Drug Leads

A Fragmentation Enumeration Approach to Generating Novel Drug Leads 

Our research group at AstraZeneca, (Bangalore) India, works in the therapeutic area of infection, with a special focus on neglected diseases. Our programs rely heavily on HTS-based lead generation. However, molecules relevant to infection are quite differentiated from those for most mainstream therapeutic areas in terms of chemical structure and properties (e.g., rule of five, other drug-like metrics) [4]. This disconnect dilutes the utility of searching for infection leads from a traditional pharmaceutical compound collection. 

As we grappled with the problem of generating better quality leads, the words of Nobel laiu-eate Sir James Black [6] planted the seed of an idea, The most 

Lead Generation Methods, Strategies, and Case Studies, First Edition. Edited by Jorg Holenz. 

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A Fragmentation Enumeration Approach to Generating Novel Drug Leads 25.3.2... 

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