2023 journal article
Evolutionary druggability for low-dimensional fitness landscapes toward new metrics for antimicrobial applications
ELife.
open access via doi.org (repository)
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13. Climate Action
(Web of Science)
Source: ORCID
Added: June 1, 2024
The term 'druggability' describes the molecular properties of drugs or targets in pharmacological interventions and is commonly used in work involving drug development for clinical applications. There are no current analogues for this notion that quantify the drug-target interaction with respect to a given target variant's sensitivity across a breadth of drugs in a panel, or a given drug's range of effectiveness across alleles of a target protein. Using data from low-dimensional empirical fitness landscapes composed of 16 β-lactamase alleles and 7 β-lactam drugs, we introduce two metrics that capture (i) the average susceptibility of an allelic variant of a drug target to any available drug in a given panel ('