Strategic Use of the Necessary Nitrogen Atom for Holistic Property-Based Drug Design
Lewis D Pennington1, Julia M Clay1, Sandrine M Hell1
1Drug Hunter , Portland, Oregon97204, United States.
Abstract:
Property-based drug design has advanced considerably since its emergence following the publication of the rule-of-5 in 1997. We show in this perspective that the classical bioisosteric exchange of an aromatic methine group with a nitrogen atom has broad utility in the modern context of drug multiparameter optimization. We also demonstrate how the "necessary nitrogen atom" can be leveraged for holistic property-based drug design, and include a historical overview, key concepts, and real-world case studies.
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